N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide

C14H29N3O2S — CID 28940704

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-13-6-8-14(12-15,9-7-13)16-20(18,19)17-10-4-2-3-5-11-17/h13,16H,2-12,15H2,1H3
InChIKeyBHRYEVOXZDTDBA-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.60
Rot. Bonds4

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

N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide (PubChem CID 28940704) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
PubChem CID28940704
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-13-6-8-14(12-15,9-7-13)16-20(18,19)17-10-4-2-3-5-11-17/h13,16H,2-12,15H2,1H3
InChIKeyBHRYEVOXZDTDBA-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
CID 86814102
N-(3-cyclohexylpropyl)azepane-1-sulfonamide
CID 71896285
N-(4-methylcyclohexyl)azepane-1-sulfonamide
CID 18134642
N-[1-(aminomethyl)cyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940478
N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
CID 28940482
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
1-(Aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 28940686
N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940696
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940700
N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide
CID 28940702
1-(Aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane
CID 28940706
1-(Aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane
CID 28940714

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide (CID 28940704) is N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide is CC1CCC(CN)(NS(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide?
The InChIKey is BHRYEVOXZDTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-13-6-8-14(12-15,9-7-13)16-20(18,19)17-10-4-2-3-5-11-17/h13,16H,2-12,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.60, 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]azepane-1-sulfonamide is sourced from PubChem (CID 28940704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).