(2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide

C11H18N2OS — CID 87548757

IUPAC(2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide
SMILESCCC(C)[C@H](N)C(=S)NCc1ccoc1
InChIInChI=1S/C11H18N2OS/c1-3-8(2)10(12)11(15)13-6-9-4-5-14-7-9/h4-5,7-8,10H,3,6,12H2,1-2H3,(H,13,15)/t8?,10-/m0/s1
InChIKeyMMVJBEOHHCPOMN-HTLJXXAVSA-N
MW226.34 g/mol
LogP2.07
Rot. Bonds5

About (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide

(2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide (PubChem CID 87548757) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide
PubChem CID87548757
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide
SMILESCCC(C)[C@H](N)C(=S)NCc1ccoc1
InChIInChI=1S/C11H18N2OS/c1-3-8(2)10(12)11(15)13-6-9-4-5-14-7-9/h4-5,7-8,10H,3,6,12H2,1-2H3,(H,13,15)/t8?,10-/m0/s1
InChIKeyMMVJBEOHHCPOMN-HTLJXXAVSA-N
XLogP2.07
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[(6-chloro-3-pyridinyl)methyl]-3-methylpentanethioamide
CID 87549308
(2S)-2-amino-N-(furan-3-ylmethyl)butanamide
CID 104874097
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea
CID 58752896
1-(furan-3-yl)-N-propan-2-yloxymethanamine
CID 131223098
(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide
CID 104909117
(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130804211
N-ethoxy-1-(furan-3-yl)methanamine
CID 82709352
1-ethoxy-N-(furan-3-ylmethyl)propan-2-amine
CID 63204415

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide?
The IUPAC name of (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide (CID 87548757) is (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide.
What is the SMILES notation for (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide?
The canonical SMILES for (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide is CCC(C)[C@H](N)C(=S)NCc1ccoc1.
What is the InChIKey of (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide?
The InChIKey is MMVJBEOHHCPOMN-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-8(2)10(12)11(15)13-6-9-4-5-14-7-9/h4-5,7-8,10H,3,6,12H2,1-2H3,(H,13,15)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide?
(2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide has a molecular weight of 226.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide is sourced from PubChem (CID 87548757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).