N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide

C14H29N3O2S — CID 43119830

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C14H29N3O2S/c1-12-5-7-14(11-15,8-6-12)16-20(18,19)17-9-3-4-13(2)10-17/h12-13,16H,3-11,15H2,1-2H3
InChIKeyOFXKNFPSYOWQMV-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.46
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 43119830) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide
PubChem CID43119830
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C14H29N3O2S/c1-12-5-7-14(11-15,8-6-12)16-20(18,19)17-9-3-4-13(2)10-17/h12-13,16H,3-11,15H2,1-2H3
InChIKeyOFXKNFPSYOWQMV-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
CID 91642856
3-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 42894521
4-[Cyclohexylmethyl(sulfamoyl)amino]piperidine
CID 167049334
4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide
CID 170198339
N-(4-methylcyclohexyl)piperazine-1-sulfonamide
CID 28775832
N-[1-(aminomethyl)cyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940478
N-[1-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide
CID 28940480
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
N-[1-(aminomethyl)cyclopentyl]-4-methylpiperidine-1-sulfonamide
CID 28940516
N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
1-(Aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 28940686

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide (CID 43119830) is N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide is CC1CCC(CN)(NS(=O)(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is OFXKNFPSYOWQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12-5-7-14(11-15,8-6-12)16-20(18,19)17-9-3-4-13(2)10-17/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43119830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).