methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate

C22H29N3O4S — CID 137462046

IUPACmethyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NS(=O)(=O)N(C)C)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H29N3O4S/c1-24(2)30(27,28)23-20-13-8-14-25(22(26)29-3)21(20)16-17-9-7-12-19(15-17)18-10-5-4-6-11-18/h4-7,9-12,15,20-21,23H,8,13-14,16H2,1-3H3
InChIKeyUIKVJZLWJPHIKF-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.89
Rot. Bonds6

About methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate

methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (PubChem CID 137462046) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
PubChem CID137462046
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Namemethyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NS(=O)(=O)N(C)C)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H29N3O4S/c1-24(2)30(27,28)23-20-13-8-14-25(22(26)29-3)21(20)16-17-9-7-12-19(15-17)18-10-5-4-6-11-18/h4-7,9-12,15,20-21,23H,8,13-14,16H2,1-3H3
InChIKeyUIKVJZLWJPHIKF-UHFFFAOYSA-N
XLogP2.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3R)-3-(methanesulfonamido)-2-[(3-pyridin-4-ylphenyl)methyl]piperidine-1-carboxylate
CID 137461805
methyl 3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137461118
2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460911
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539
2,2,2-trifluoroethyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461560
cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461385
cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460644
methyl 3-(methanesulfonamido)-2-[[3-(2-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137462140
2-methylpropyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461277
2,2-difluoroethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462199

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (CID 137462046) is methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is COC(=O)N1CCCC(NS(=O)(=O)N(C)C)C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is UIKVJZLWJPHIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-24(2)30(27,28)23-20-13-8-14-25(22(26)29-3)21(20)16-17-9-7-12-19(15-17)18-10-5-4-6-11-18/h4-7,9-12,15,20-21,23H,8,13-14,16H2,1-3H3.
What are the key properties of methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 431.56 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137462046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).