N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride

C14H31ClN2O2S — CID 119992202

IUPACN-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)CC1CCCCC1.Cl
InChIInChI=1S/C14H30N2O2S.ClH/c1-12(2)14(15)9-10-16(3)19(17,18)11-13-7-5-4-6-8-13;/h12-14H,4-11,15H2,1-3H3;1H
InChIKeyCKXFIHXRZBJDME-UHFFFAOYSA-N
MW326.93 g/mol
LogP2.62
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride (PubChem CID 119992202) has the molecular formula C14H31ClN2O2S and a molecular weight of 326.93 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
PubChem CID119992202
Molecular FormulaC14H31ClN2O2S
Molecular Weight326.93 g/mol
Exact Mass326.18
IUPAC NameN-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)CC1CCCCC1.Cl
InChIInChI=1S/C14H30N2O2S.ClH/c1-12(2)14(15)9-10-16(3)19(17,18)11-13-7-5-4-6-8-13;/h12-14H,4-11,15H2,1-3H3;1H
InChIKeyCKXFIHXRZBJDME-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.93
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[[(3-amino-4-methylpentyl)-methylsulfamoyl]amino]cyclopropane
CID 114811297
N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide
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N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide
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N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
CID 115317691
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119658134
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
CID 75419186
N-(3-amino-4-methylpentyl)-N-methyl-2-(oxan-2-yl)acetamide;hydrochloride
CID 119657738
N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119659726
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274
3-[cyclohexylmethylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998240

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride (CID 119992202) is N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride is CC(C)C(N)CCN(C)S(=O)(=O)CC1CCCCC1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is CKXFIHXRZBJDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S.ClH/c1-12(2)14(15)9-10-16(3)19(17,18)11-13-7-5-4-6-8-13;/h12-14H,4-11,15H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 326.93 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119992202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).