N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide

C15H32N2O2S — CID 62008250

IUPACN-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C15H32N2O2S/c1-4-11-17(15(3,5-2)13-16)20(18,19)12-14-9-7-6-8-10-14/h14H,4-13,16H2,1-3H3
InChIKeyLEOQBEREALKBSK-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.74
Rot. Bonds8

About N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide

N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide (PubChem CID 62008250) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide
PubChem CID62008250
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C15H32N2O2S/c1-4-11-17(15(3,5-2)13-16)20(18,19)12-14-9-7-6-8-10-14/h14H,4-13,16H2,1-3H3
InChIKeyLEOQBEREALKBSK-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-ethylmethanesulfonamide
CID 62008647
2-[cyclohexylmethylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818726
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
CID 63396856
2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62009371
N-(1-amino-2-methylbutan-2-yl)-N-ethylpropane-1-sulfonamide
CID 62009447
1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 114803901
3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 113489996
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79387330
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
3-[cyclohexylmethylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998240
N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
CID 102874325

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide (CID 62008250) is N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide is CCCN(C(C)(CC)CN)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide?
The InChIKey is LEOQBEREALKBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-4-11-17(15(3,5-2)13-16)20(18,19)12-14-9-7-6-8-10-14/h14H,4-13,16H2,1-3H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide has a molecular weight of 304.50 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide is sourced from PubChem (CID 62008250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).