N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide

C14H30N2O2S — CID 106357475

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide
SMILESCC(C)(C)C(CCN)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-14(2,3)13(9-10-15)16-19(17,18)11-12-7-5-4-6-8-12/h12-13,16H,4-11,15H2,1-3H3
InChIKeyDXEWKWJVZAPONV-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.25
Rot. Bonds6

About N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide

N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide (PubChem CID 106357475) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide
PubChem CID106357475
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide
SMILESCC(C)(C)C(CCN)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-14(2,3)13(9-10-15)16-19(17,18)11-12-7-5-4-6-8-12/h12-13,16H,4-11,15H2,1-3H3
InChIKeyDXEWKWJVZAPONV-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide
CID 64990284
(2S)-2-(cyclohexylmethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 61454161
N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide
CID 63765442
N-(1-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343
N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide
CID 106357464
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide
CID 106357429
1-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)methanesulfonamide
CID 61453787
N-(4-aminobutan-2-yl)cyclohexanesulfonamide
CID 62093489
1-cyclohexyl-N-(2-methylpropyl)methanesulfonamide
CID 62735180
2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid
CID 54947785
1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
CID 95733759

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide (CID 106357475) is N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide is CC(C)(C)C(CCN)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide?
The InChIKey is DXEWKWJVZAPONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-14(2,3)13(9-10-15)16-19(17,18)11-12-7-5-4-6-8-12/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 106357475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).