1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide

C12H18N2O2S — CID 79637513

IUPAC1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(SCc2ccco2)C1
InChIInChI=1S/C12H18N2O2S/c13-11(15)12(14)5-1-4-10(7-12)17-8-9-3-2-6-16-9/h2-3,6,10H,1,4-5,7-8,14H2,(H2,13,15)
InChIKeyPVMPSDKZOIQKEK-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.64
Rot. Bonds4

About 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide

1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide (PubChem CID 79637513) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
PubChem CID79637513
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(SCc2ccco2)C1
InChIInChI=1S/C12H18N2O2S/c13-11(15)12(14)5-1-4-10(7-12)17-8-9-3-2-6-16-9/h2-3,6,10H,1,4-5,7-8,14H2,(H2,13,15)
InChIKeyPVMPSDKZOIQKEK-UHFFFAOYSA-N
XLogP1.64
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(furan-2-ylmethylsulfanyl)cyclopentane-1-carboxamide
CID 79653744
3-(furan-2-ylmethylsulfanyl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79637807
ethyl 3-(furan-2-ylmethylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79644719
4-(furan-2-ylmethylsulfanyl)azepane
CID 126974894
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 106925119
1-amino-N-cyclopentyl-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 60940015
6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847075
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792
1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one
CID 116591276
1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 81179466
1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexane-1-carboxamide
CID 79634964

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide (CID 79637513) is 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide is NC(=O)C1(N)CCCC(SCc2ccco2)C1.
What is the InChIKey of 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
The InChIKey is PVMPSDKZOIQKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-11(15)12(14)5-1-4-10(7-12)17-8-9-3-2-6-16-9/h2-3,6,10H,1,4-5,7-8,14H2,(H2,13,15).
What are the key properties of 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).