N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide

C15H31N3O2S — CID 43119818

IUPACN-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C15H31N3O2S/c1-14-9-5-8-12-18(14)21(19,20)17-15(13-16)10-6-3-2-4-7-11-15/h14,17H,2-13,16H2,1H3
InChIKeyGGYHTGWNTOZPMC-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.14
Rot. Bonds4

About N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide

N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 43119818) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide
PubChem CID43119818
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C15H31N3O2S/c1-14-9-5-8-12-18(14)21(19,20)17-15(13-16)10-6-3-2-4-7-11-15/h14,17H,2-13,16H2,1H3
InChIKeyGGYHTGWNTOZPMC-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940740
N-[1-(aminomethyl)-4-ethylcyclohexyl]piperidine-1-sulfonamide
CID 28940742

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide (CID 43119818) is N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is GGYHTGWNTOZPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-14-9-5-8-12-18(14)21(19,20)17-15(13-16)10-6-3-2-4-7-11-15/h14,17H,2-13,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide?
N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 2.14, 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]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43119818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).