N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide

C15H22N2O2S — CID 61123204

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide
SMILESNC(=S)C(NC(=O)CCc1ccco1)C1CCCCC1
InChIInChI=1S/C15H22N2O2S/c16-15(20)14(11-5-2-1-3-6-11)17-13(18)9-8-12-7-4-10-19-12/h4,7,10-11,14H,1-3,5-6,8-9H2,(H2,16,20)(H,17,18)
InChIKeyKTTVHFXOGIEBDV-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.56
Rot. Bonds6

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide (PubChem CID 61123204) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide
PubChem CID61123204
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide
SMILESNC(=S)C(NC(=O)CCc1ccco1)C1CCCCC1
InChIInChI=1S/C15H22N2O2S/c16-15(20)14(11-5-2-1-3-6-11)17-13(18)9-8-12-7-4-10-19-12/h4,7,10-11,14H,1-3,5-6,8-9H2,(H2,16,20)(H,17,18)
InChIKeyKTTVHFXOGIEBDV-UHFFFAOYSA-N
XLogP2.56
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide
CID 61122791
3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64928523
N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
CID 93452004
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
N-(3-aminocyclobutyl)-3-(furan-2-yl)propanamide
CID 43594940
(2S)-5-amino-2-[3-(furan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 28779213
N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide
CID 61119958
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-5-methylfuran-2-carboxamide
CID 61123403
N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide
CID 142442818
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 61124032

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide (CID 61123204) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide is NC(=S)C(NC(=O)CCc1ccco1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide?
The InChIKey is KTTVHFXOGIEBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-15(20)14(11-5-2-1-3-6-11)17-13(18)9-8-12-7-4-10-19-12/h4,7,10-11,14H,1-3,5-6,8-9H2,(H2,16,20)(H,17,18).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide has a molecular weight of 294.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 61123204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).