N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide

C12H26N2O2S — CID 28940678

IUPACN-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-10-17(15,16)14-12(11-13)8-6-4-5-7-9-12/h14H,2-11,13H2,1H3
InChIKeyQGADFTOEFFRYIV-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.76
Rot. Bonds6

About N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide

N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide (PubChem CID 28940678) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
PubChem CID28940678
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-10-17(15,16)14-12(11-13)8-6-4-5-7-9-12/h14H,2-11,13H2,1H3
InChIKeyQGADFTOEFFRYIV-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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)cyclohexyl]butane-1-sulfonamide
CID 28940496
N-[1-(aminomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290111
N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide
CID 86780680
N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520688
N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
CID 115903061
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
1-(aminomethyl)-1-(diethylsulfamoylamino)cyclopentane
CID 28940522
N-[1-(aminomethyl)cyclopentyl]-2-methylpropane-2-sulfonamide
CID 63687829
N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide
CID 114170087
N-(1-methylcyclohexyl)propane-1-sulfonamide
CID 61384311
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290240

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide (CID 28940678) is N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide?
The InChIKey is QGADFTOEFFRYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-3-10-17(15,16)14-12(11-13)8-6-4-5-7-9-12/h14H,2-11,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide?
N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide is sourced from PubChem (CID 28940678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).