N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide

C14H29N3O2S — CID 61122577

IUPACN-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(CN)C2CCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-12-7-9-17(10-8-12)20(18,19)16-14(11-15)13-5-3-2-4-6-13/h12-14,16H,2-11,15H2,1H3
InChIKeyKQRCHSCGGNHHDK-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.46
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide

N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 61122577) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide
PubChem CID61122577
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(CN)C2CCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-12-7-9-17(10-8-12)20(18,19)16-14(11-15)13-5-3-2-4-6-13/h12-14,16H,2-11,15H2,1H3
InChIKeyKQRCHSCGGNHHDK-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
4-methyl-N-(3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 43053258
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
CID 91642856
4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide
CID 164641466
3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide
CID 86922602
3-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 42894521
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
2-(1-Piperidin-4-ylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20434924
N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide
CID 58780675
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide
CID 58786377
N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide
CID 58786445
N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylazetidine-1-sulfonamide
CID 58821617

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide (CID 61122577) is N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC(CN)C2CCCCC2)CC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is KQRCHSCGGNHHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12-7-9-17(10-8-12)20(18,19)16-14(11-15)13-5-3-2-4-6-13/h12-14,16H,2-11,15H2,1H3.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide?
N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61122577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).