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

C15H32N2O2S — CID 62007631

IUPACN-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)C1(CN)CCCCCC1
InChIInChI=1S/C15H32N2O2S/c1-3-5-13-20(18,19)17(12-4-2)15(14-16)10-8-6-7-9-11-15/h3-14,16H2,1-2H3
InChIKeyWYAGVSIODLTMSG-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.88
Rot. Bonds8

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

N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide (PubChem CID 62007631) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide
PubChem CID62007631
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)C1(CN)CCCCCC1
InChIInChI=1S/C15H32N2O2S/c1-3-5-13-20(18,19)17(12-4-2)15(14-16)10-8-6-7-9-11-15/h3-14,16H2,1-2H3
InChIKeyWYAGVSIODLTMSG-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 63289931
N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-propylethanesulfonamide
CID 63245720
N-[1-(aminomethyl)cyclopentyl]-N-methylbutane-1-sulfonamide
CID 62008822
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824
N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide
CID 63688957
N-[1-(aminomethyl)cycloheptyl]-N-propylpropane-2-sulfonamide
CID 62008030
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007833
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylpropane-1-sulfonamide
CID 62007624
1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane
CID 114803852
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine
CID 65094131
1-(aminomethyl)-1-[ethyl(sulfamoyl)amino]cyclopentane
CID 114958602

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide (CID 62007631) is N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCC)C1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide?
The InChIKey is WYAGVSIODLTMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-3-5-13-20(18,19)17(12-4-2)15(14-16)10-8-6-7-9-11-15/h3-14,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide?
N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide has a molecular weight of 304.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 62007631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).