N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide

C20H39N3O3S — CID 47088216

IUPACN-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide
SMILESCC1CCCC(NC(=O)C(C)N2CCCC(CNS(=O)(=O)C(C)C)C2)C1C
InChIInChI=1S/C20H39N3O3S/c1-14(2)27(25,26)21-12-18-9-7-11-23(13-18)17(5)20(24)22-19-10-6-8-15(3)16(19)4/h14-19,21H,6-13H2,1-5H3,(H,22,24)
InChIKeyLOWAXNWMGRPBTM-UHFFFAOYSA-N
MW401.62 g/mol
LogP2.36
Rot. Bonds7

About N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide

N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide (PubChem CID 47088216) has the molecular formula C20H39N3O3S and a molecular weight of 401.62 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide
PubChem CID47088216
Molecular FormulaC20H39N3O3S
Molecular Weight401.62 g/mol
Exact Mass401.27
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide
SMILESCC1CCCC(NC(=O)C(C)N2CCCC(CNS(=O)(=O)C(C)C)C2)C1C
InChIInChI=1S/C20H39N3O3S/c1-14(2)27(25,26)21-12-18-9-7-11-23(13-18)17(5)20(24)22-19-10-6-8-15(3)16(19)4/h14-19,21H,6-13H2,1-5H3,(H,22,24)
InChIKeyLOWAXNWMGRPBTM-UHFFFAOYSA-N
XLogP2.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide
CID 55411006
2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid
CID 106813810
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 11927997
(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521152
(2R)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521154
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 124734501
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 95622503
N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide
CID 42935438
(2S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844711
(2S)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844709

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide (CID 47088216) is N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide is CC1CCCC(NC(=O)C(C)N2CCCC(CNS(=O)(=O)C(C)C)C2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide?
The InChIKey is LOWAXNWMGRPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O3S/c1-14(2)27(25,26)21-12-18-9-7-11-23(13-18)17(5)20(24)22-19-10-6-8-15(3)16(19)4/h14-19,21H,6-13H2,1-5H3,(H,22,24).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide?
N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide has a molecular weight of 401.62 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 47088216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).