1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide

C14H22N4OS — CID 79635325

IUPAC1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC(Sc2cnccn2)C1
InChIInChI=1S/C14H22N4OS/c1-10(2)18-14(13(15)19)5-3-4-11(8-14)20-12-9-16-6-7-17-12/h6-7,9-11,18H,3-5,8H2,1-2H3,(H2,15,19)
InChIKeyJVNNIYZUOFCOLX-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.73
Rot. Bonds5

About 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide

1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide (PubChem CID 79635325) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
PubChem CID79635325
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC(Sc2cnccn2)C1
InChIInChI=1S/C14H22N4OS/c1-10(2)18-14(13(15)19)5-3-4-11(8-14)20-12-9-16-6-7-17-12/h6-7,9-11,18H,3-5,8H2,1-2H3,(H2,15,19)
InChIKeyJVNNIYZUOFCOLX-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635887
1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid
CID 79634682
3-[(5-chloro-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
CID 79635166
1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide
CID 79654622
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653797
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
CID 79635146
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
CID 102925709
1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
CID 79654317
1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide
CID 79653438
3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654347
methyl 1-(methylamino)-3-pyrimidin-4-ylsulfanylcyclohexane-1-carboxylate
CID 79633907
3-(2-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79633596

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide?
The IUPAC name of 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide (CID 79635325) is 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide is CC(C)NC1(C(N)=O)CCCC(Sc2cnccn2)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide?
The InChIKey is JVNNIYZUOFCOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10(2)18-14(13(15)19)5-3-4-11(8-14)20-12-9-16-6-7-17-12/h6-7,9-11,18H,3-5,8H2,1-2H3,(H2,15,19).
What are the key properties of 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide?
1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide is sourced from PubChem (CID 79635325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).