propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate

C20H32N4O4S — CID 137461606

IUPACpropan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
SMILESC=C(C)c1cccc(CC2C(NS(=O)(=O)N(C)C)CCCN2C(=O)OC(C)C)n1
InChIInChI=1S/C20H32N4O4S/c1-14(2)17-10-7-9-16(21-17)13-19-18(22-29(26,27)23(5)6)11-8-12-24(19)20(25)28-15(3)4/h7,9-10,15,18-19,22H,1,8,11-13H2,2-6H3
InChIKeyUYODTGFAKXJDEZ-UHFFFAOYSA-N
MW424.57 g/mol
LogP2.43
Rot. Bonds7

About propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate

propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate (PubChem CID 137461606) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
PubChem CID137461606
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Namepropan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
SMILESC=C(C)c1cccc(CC2C(NS(=O)(=O)N(C)C)CCCN2C(=O)OC(C)C)n1
InChIInChI=1S/C20H32N4O4S/c1-14(2)17-10-7-9-16(21-17)13-19-18(22-29(26,27)23(5)6)11-8-12-24(19)20(25)28-15(3)4/h7,9-10,15,18-19,22H,1,8,11-13H2,2-6H3
InChIKeyUYODTGFAKXJDEZ-UHFFFAOYSA-N
XLogP2.43
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (2S,3S)-3-(oxetan-3-ylsulfonylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137461706
propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137461992
propan-2-yl (2R,3R)-2-[(6-bromo-2-pyridinyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 137461196
propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate
CID 137460858
propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate
CID 137461538
methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462046
propan-2-yl 3-(methanesulfonamido)-2-[(3-pyrimidin-2-ylphenyl)methyl]piperidine-1-carboxylate
CID 137469761
(2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
CID 130336178
propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxylate
CID 146294610
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137461285
2-methylpropyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461277
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate (CID 137461606) is propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate is C=C(C)c1cccc(CC2C(NS(=O)(=O)N(C)C)CCCN2C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate?
The InChIKey is UYODTGFAKXJDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-14(2)17-10-7-9-16(21-17)13-19-18(22-29(26,27)23(5)6)11-8-12-24(19)20(25)28-15(3)4/h7,9-10,15,18-19,22H,1,8,11-13H2,2-6H3.
What are the key properties of propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate?
propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate has a molecular weight of 424.57 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137461606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).