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

C12H25NO2S2 — CID 114122601

IUPACN-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine
SMILESCCS(=O)(=O)CC(C)NC1CCC(SC)CC1
InChIInChI=1S/C12H25NO2S2/c1-4-17(14,15)9-10(2)13-11-5-7-12(16-3)8-6-11/h10-13H,4-9H2,1-3H3
InChIKeyCYNGMFJLRYXHKO-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.07
Rot. Bonds6

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

N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine (PubChem CID 114122601) has the molecular formula C12H25NO2S2 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine
PubChem CID114122601
Molecular FormulaC12H25NO2S2
Molecular Weight279.47 g/mol
Exact Mass279.13
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine
SMILESCCS(=O)(=O)CC(C)NC1CCC(SC)CC1
InChIInChI=1S/C12H25NO2S2/c1-4-17(14,15)9-10(2)13-11-5-7-12(16-3)8-6-11/h10-13H,4-9H2,1-3H3
InChIKeyCYNGMFJLRYXHKO-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine
CID 103914438
N-(1-ethylsulfonylpropan-2-yl)thian-4-amine
CID 115626125
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 115653928
N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 114123735
N-(1-ethylsulfonylpropan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 115900651
N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
methyl 2-methyl-3-[(4-methylsulfanylcyclohexyl)amino]butanoate
CID 114123356
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid
CID 121379155
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
1-methyl-N-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 64630112

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine (CID 114122601) is N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine is CCS(=O)(=O)CC(C)NC1CCC(SC)CC1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine?
The InChIKey is CYNGMFJLRYXHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S2/c1-4-17(14,15)9-10(2)13-11-5-7-12(16-3)8-6-11/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine?
N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 114122601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).