1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide

C12H24N2O3S2 — CID 79634497

IUPAC1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(SCCS(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S2/c1-3-14-12(11(13)15)6-4-5-10(9-12)18-7-8-19(2,16)17/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyMEEIHSJWOOPDMC-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.54
Rot. Bonds7

About 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide

1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide (PubChem CID 79634497) has the molecular formula C12H24N2O3S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide
PubChem CID79634497
Molecular FormulaC12H24N2O3S2
Molecular Weight308.47 g/mol
Exact Mass308.12
IUPAC Name1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(SCCS(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S2/c1-3-14-12(11(13)15)6-4-5-10(9-12)18-7-8-19(2,16)17/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyMEEIHSJWOOPDMC-UHFFFAOYSA-N
XLogP0.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
1-(ethylamino)-3-ethylsulfanylcyclohexane-1-carboxylic acid
CID 79638049
methyl 1-(ethylamino)-3-(3-hydroxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79635796
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
CID 79635146
1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
CID 79653484
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide
CID 79653406
1-(ethylamino)-3-[2-(ethylamino)-2-oxoethyl]sulfanylcyclohexane-1-carboxylic acid
CID 114234386
ethyl 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carboxylate
CID 79638188
ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825
1-(ethylamino)-4,4-dimethylcycloheptane-1-carboxamide
CID 65088045

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide (CID 79634497) is 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(SCCS(C)(=O)=O)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide?
The InChIKey is MEEIHSJWOOPDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S2/c1-3-14-12(11(13)15)6-4-5-10(9-12)18-7-8-19(2,16)17/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide?
1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79634497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).