(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide

C15H28N4O3S — CID 95126760

IUPAC(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN3CCCC[C@H]23)C1
InChIInChI=1S/C15H28N4O3S/c1-23(21,22)17-12-5-4-9-19(11-12)15(20)16-13-7-10-18-8-3-2-6-14(13)18/h12-14,17H,2-11H2,1H3,(H,16,20)/t12-,13+,14-/m1/s1
InChIKeyIVLGNGHHXOEQQN-HZSPNIEDSA-N
MW344.48 g/mol
LogP0.34
Rot. Bonds3

About (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide

(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide (PubChem CID 95126760) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
PubChem CID95126760
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN3CCCC[C@H]23)C1
InChIInChI=1S/C15H28N4O3S/c1-23(21,22)17-12-5-4-9-19(11-12)15(20)16-13-7-10-18-8-3-2-6-14(13)18/h12-14,17H,2-11H2,1H3,(H,16,20)/t12-,13+,14-/m1/s1
InChIKeyIVLGNGHHXOEQQN-HZSPNIEDSA-N
XLogP0.34
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide with MolForge

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
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CID 94125453
3-(methanesulfonamido)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 51083495
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
CID 103907786
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719906
(3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
CID 98799340
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 47038794
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide
CID 166310642
N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide (CID 95126760) is (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide is CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN3CCCC[C@H]23)C1.
What is the InChIKey of (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The InChIKey is IVLGNGHHXOEQQN-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-23(21,22)17-12-5-4-9-19(11-12)15(20)16-13-7-10-18-8-3-2-6-14(13)18/h12-14,17H,2-11H2,1H3,(H,16,20)/t12-,13+,14-/m1/s1.
What are the key properties of (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide is sourced from PubChem (CID 95126760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).