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

C14H30N2O2S — CID 55261101

IUPACN-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C14H30N2O2S/c1-13(2)8-11-19(17,18)16-14(12-15)9-6-4-3-5-7-10-14/h13,16H,3-12,15H2,1-2H3
InChIKeySAZPIZZEEUCYGT-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.39
Rot. Bonds6

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

N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide (PubChem CID 55261101) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide
PubChem CID55261101
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C14H30N2O2S/c1-13(2)8-11-19(17,18)16-14(12-15)9-6-4-3-5-7-10-14/h13,16H,3-12,15H2,1-2H3
InChIKeySAZPIZZEEUCYGT-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide (CID 55261101) is N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide?
The InChIKey is SAZPIZZEEUCYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-13(2)8-11-19(17,18)16-14(12-15)9-6-4-3-5-7-10-14/h13,16H,3-12,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide?
N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.39, 6 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-methylbutane-1-sulfonamide is sourced from PubChem (CID 55261101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).