1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide

C15H28N2OS — CID 79653484

IUPAC1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(SC2CCCC(C)C2)C1
InChIInChI=1S/C15H28N2OS/c1-3-17-15(14(16)18)8-7-13(10-15)19-12-6-4-5-11(2)9-12/h11-13,17H,3-10H2,1-2H3,(H2,16,18)
InChIKeyDQNFSEJAKQXYTN-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.68
Rot. Bonds5

About 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide

1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide (PubChem CID 79653484) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
PubChem CID79653484
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(SC2CCCC(C)C2)C1
InChIInChI=1S/C15H28N2OS/c1-3-17-15(14(16)18)8-7-13(10-15)19-12-6-4-5-11(2)9-12/h11-13,17H,3-10H2,1-2H3,(H2,16,18)
InChIKeyDQNFSEJAKQXYTN-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79654570
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79633898
methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79654195
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79653723
3-(3-methylcyclohexyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634839
1-(ethylamino)-3-hydroxycyclopentane-1-carboxamide
CID 164648441
1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide
CID 79634497
[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol
CID 79640996
[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
CID 79645546

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide (CID 79653484) is 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(SC2CCCC(C)C2)C1.
What is the InChIKey of 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide?
The InChIKey is DQNFSEJAKQXYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-3-17-15(14(16)18)8-7-13(10-15)19-12-6-4-5-11(2)9-12/h11-13,17H,3-10H2,1-2H3,(H2,16,18).
What are the key properties of 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide?
1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide has a molecular weight of 284.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 79653484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).