N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide

C10H20N2O3S — CID 94809178

IUPACN-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESC[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-9-4-3-7-12(8-9)10(13)5-6-11-16(2,14)15/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyKHAYIZFOLJSPQK-SECBINFHSA-N
MW248.35 g/mol
LogP0.18
Rot. Bonds4

About N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide

N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide (PubChem CID 94809178) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide
PubChem CID94809178
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESC[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-9-4-3-7-12(8-9)10(13)5-6-11-16(2,14)15/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyKHAYIZFOLJSPQK-SECBINFHSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347
N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145038
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 47091483
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463
N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145153
N-[3-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 95551093
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
N-ethyl-N'-[2-(methanesulfonamido)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144709
N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide
CID 111154717
(2R)-1-acetyl-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 92504914

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide (CID 94809178) is N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide is C[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide?
The InChIKey is KHAYIZFOLJSPQK-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9-4-3-7-12(8-9)10(13)5-6-11-16(2,14)15/h9,11H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide?
N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 94809178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).