N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide

C12H26N2O2S — CID 28940638

IUPACN-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-10-17(15,16)14-12(11-13)8-6-4-3-5-7-9-12/h14H,2-11,13H2,1H3
InChIKeyDTSJRFNQMLZYJD-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide

N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide (PubChem CID 28940638) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide
PubChem CID28940638
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-10-17(15,16)14-12(11-13)8-6-4-3-5-7-9-12/h14H,2-11,13H2,1H3
InChIKeyDTSJRFNQMLZYJD-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
CID 28940620
N-[1-(aminomethyl)cyclooctyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047749
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
1-Amino-2-methyloctane-4-sulfonamide
CID 57090687
1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
CID 71057607
N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide
CID 28940494
N-[1-(aminomethyl)cyclohexyl]butane-1-sulfonamide
CID 28940496
N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 28940498
N-[1-(aminomethyl)cyclopentyl]butane-1-sulfonamide
CID 28940536
N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide
CID 28940538
N-[1-(aminomethyl)cyclooctyl]ethanesulfonamide
CID 28940632

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide (CID 28940638) is N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide?
The InChIKey is DTSJRFNQMLZYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-10-17(15,16)14-12(11-13)8-6-4-3-5-7-9-12/h14H,2-11,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide?
N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide is sourced from PubChem (CID 28940638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).