1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide

C14H22N4OS — CID 79635146

IUPAC1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(Sc2ncc(C)cn2)C1
InChIInChI=1S/C14H22N4OS/c1-3-18-14(12(15)19)6-4-5-11(7-14)20-13-16-8-10(2)9-17-13/h8-9,11,18H,3-7H2,1-2H3,(H2,15,19)
InChIKeyCCOAAXGNWXFCSY-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.65
Rot. Bonds5

About 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide

1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide (PubChem CID 79635146) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
PubChem CID79635146
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(Sc2ncc(C)cn2)C1
InChIInChI=1S/C14H22N4OS/c1-3-18-14(12(15)19)6-4-5-11(7-14)20-13-16-8-10(2)9-17-13/h8-9,11,18H,3-7H2,1-2H3,(H2,15,19)
InChIKeyCCOAAXGNWXFCSY-UHFFFAOYSA-N
XLogP1.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid
CID 79654188
1-amino-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxylic acid
CID 79635477
1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
ethyl 1-(ethylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654016
1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid
CID 79634682
ethyl 1-(ethylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79635597
3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635887
1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide
CID 79634497
1-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxylic acid
CID 79634039
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
CID 102925709

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide (CID 79635146) is 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(Sc2ncc(C)cn2)C1.
What is the InChIKey of 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide?
The InChIKey is CCOAAXGNWXFCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-3-18-14(12(15)19)6-4-5-11(7-14)20-13-16-8-10(2)9-17-13/h8-9,11,18H,3-7H2,1-2H3,(H2,15,19).
What are the key properties of 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide?
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide is sourced from PubChem (CID 79635146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).