N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine

C12H25NO2S — CID 103914438

IUPACN-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine
SMILESCCS(=O)(=O)CC(C)NC1CCC(C)CC1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)9-11(3)13-12-7-5-10(2)6-8-12/h10-13H,4-9H2,1-3H3
InChIKeyIPDMWTRTJYUBRN-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine

N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 103914438) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine
PubChem CID103914438
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine
SMILESCCS(=O)(=O)CC(C)NC1CCC(C)CC1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)9-11(3)13-12-7-5-10(2)6-8-12/h10-13H,4-9H2,1-3H3
InChIKeyIPDMWTRTJYUBRN-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine
CID 114122601
N-(1-ethylsulfonylpropan-2-yl)thian-4-amine
CID 115626125
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
1-[(4-methylcyclohexyl)amino]propane-1-sulfonic acid
CID 121482028
1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 115653928
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-(1-ethylsulfonylpropan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 115900651
[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid
CID 121379155
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
N-hex-5-en-2-yl-4-methylcyclohexan-1-amine
CID 104581515
1-methyl-N-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 64630112
4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 103830760

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine (CID 103914438) is N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine is CCS(=O)(=O)CC(C)NC1CCC(C)CC1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is IPDMWTRTJYUBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-16(14,15)9-11(3)13-12-7-5-10(2)6-8-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine?
N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 103914438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).