N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide

C10H22N2O2S — CID 91662016

IUPACN-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
SMILESCC1CCCN(CC(C)NS(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O2S/c1-9-5-4-6-12(7-9)8-10(2)11-15(3,13)14/h9-11H,4-8H2,1-3H3
InChIKeyPSQOSZKTFCVPFO-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.66
Rot. Bonds4

About N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide

N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide (PubChem CID 91662016) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
PubChem CID91662016
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
SMILESCC1CCCN(CC(C)NS(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O2S/c1-9-5-4-6-12(7-9)8-10(2)11-15(3,13)14/h9-11H,4-8H2,1-3H3
InChIKeyPSQOSZKTFCVPFO-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylpiperidin-1-yl)propan-2-yl]oxolane-3-sulfonamide
CID 146090184
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
CID 99827324
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
CID 99793097
3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide
CID 129408262
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
1-(2,3-dimethylbutyl)-3-methylpiperidine
CID 174315397
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973
1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide
CID 99858954
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide (CID 91662016) is N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide is CC1CCCN(CC(C)NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide?
The InChIKey is PSQOSZKTFCVPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9-5-4-6-12(7-9)8-10(2)11-15(3,13)14/h9-11H,4-8H2,1-3H3.
What are the key properties of N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide?
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 91662016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).