(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

C16H24N4O4S — CID 40811536

IUPAC(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N4O4S/c1-12(15(21)18-16(22)17-2)20-10-8-13(9-11-20)19-25(23,24)14-6-4-3-5-7-14/h3-7,12-13,19H,8-11H2,1-2H3,(H2,17,18,21,22)/t12-/m0/s1
InChIKeyMSZOYCDUPDAESC-LBPRGKRZSA-N
MW368.46 g/mol
LogP0.27
Rot. Bonds5

About (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 40811536) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID40811536
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N4O4S/c1-12(15(21)18-16(22)17-2)20-10-8-13(9-11-20)19-25(23,24)14-6-4-3-5-7-14/h3-7,12-13,19H,8-11H2,1-2H3,(H2,17,18,21,22)/t12-/m0/s1
InChIKeyMSZOYCDUPDAESC-LBPRGKRZSA-N
XLogP0.27
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55482564
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 55498452
N-[1-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzenesulfonamide
CID 55498832
N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 87015324
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8743246
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide
CID 52504142
N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 55922553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (CID 40811536) is (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is MSZOYCDUPDAESC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-12(15(21)18-16(22)17-2)20-10-8-13(9-11-20)19-25(23,24)14-6-4-3-5-7-14/h3-7,12-13,19H,8-11H2,1-2H3,(H2,17,18,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 368.46 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 40811536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).