N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide

C15H31N3O2S — CID 43119819

IUPACN-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(CN)CCCCCCC2)C1
InChIInChI=1S/C15H31N3O2S/c1-14-8-7-11-18(12-14)21(19,20)17-15(13-16)9-5-3-2-4-6-10-15/h14,17H,2-13,16H2,1H3
InChIKeyBRHWFQJQHDPQRM-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.99
Rot. Bonds4

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

N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 43119819) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide
PubChem CID43119819
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(CN)CCCCCCC2)C1
InChIInChI=1S/C15H31N3O2S/c1-14-8-7-11-18(12-14)21(19,20)17-15(13-16)9-5-3-2-4-6-10-15/h14,17H,2-13,16H2,1H3
InChIKeyBRHWFQJQHDPQRM-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
CID 91642856
4-Ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 118241953
N-[1-(aminomethyl)cyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940478
N-[1-(aminomethyl)cyclopentyl]-4-methylpiperidine-1-sulfonamide
CID 28940516
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
N-[1-(aminomethyl)cyclooctyl]pyrrolidine-1-sulfonamide
CID 28940606
N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610
N-[1-(aminomethyl)cyclooctyl]piperidine-1-sulfonamide
CID 28940612
N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
CID 28940614
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclooctane
CID 28940616
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]piperidine-1-sulfonamide
CID 28940662

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide (CID 43119819) is N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC2(CN)CCCCCCC2)C1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is BRHWFQJQHDPQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-14-8-7-11-18(12-14)21(19,20)17-15(13-16)9-5-3-2-4-6-10-15/h14,17H,2-13,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide?
N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43119819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).