N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide

C14H30N2O2S — CID 63688957

IUPACN-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide
SMILESCCCN(C1(CN)CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O2S/c1-5-11-16(19(17,18)13(2,3)4)14(12-15)9-7-6-8-10-14/h5-12,15H2,1-4H3
InChIKeyDPJDHFTVNACAPH-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.49
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide

N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide (PubChem CID 63688957) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide
PubChem CID63688957
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide
SMILESCCCN(C1(CN)CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O2S/c1-5-11-16(19(17,18)13(2,3)4)14(12-15)9-7-6-8-10-14/h5-12,15H2,1-4H3
InChIKeyDPJDHFTVNACAPH-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methylpropane-2-sulfonamide
CID 63689699
N-[1-(aminomethyl)cycloheptyl]-N-propylpropane-2-sulfonamide
CID 62008030
N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide
CID 62007631
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007833
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824
1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane
CID 114803852
N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-propylethanesulfonamide
CID 63245720
N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 63289931
1-(aminomethyl)-1-[ethyl(sulfamoyl)amino]cyclopentane
CID 114958602
1-(aminomethyl)-1-[tert-butylsulfamoyl(ethyl)amino]cyclopentane
CID 114803863
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
N-[1-(aminomethyl)cyclopentyl]-3-methyl-N-propylpiperidine-1-sulfonamide
CID 62009026

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide (CID 63688957) is N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide is CCCN(C1(CN)CCCCC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide?
The InChIKey is DPJDHFTVNACAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-11-16(19(17,18)13(2,3)4)14(12-15)9-7-6-8-10-14/h5-12,15H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide is sourced from PubChem (CID 63688957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).