N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide

C13H18N2O2S — CID 54996706

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide
SMILESNC(=S)CCN(C(=O)CCc1ccco1)C1CC1
InChIInChI=1S/C13H18N2O2S/c14-12(18)7-8-15(10-3-4-10)13(16)6-5-11-2-1-9-17-11/h1-2,9-10H,3-8H2,(H2,14,18)
InChIKeyKLRGLVHBLTUUKR-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.88
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide (PubChem CID 54996706) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide
PubChem CID54996706
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide
SMILESNC(=S)CCN(C(=O)CCc1ccco1)C1CC1
InChIInChI=1S/C13H18N2O2S/c14-12(18)7-8-15(10-3-4-10)13(16)6-5-11-2-1-9-17-11/h1-2,9-10H,3-8H2,(H2,14,18)
InChIKeyKLRGLVHBLTUUKR-UHFFFAOYSA-N
XLogP1.88
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide 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

N-(3-aminopropyl)-N-cyclopentyl-3-(furan-2-yl)propanamide
CID 43319326
N-cyclopropyl-3-(furan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626726
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
CID 63223498
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide
CID 55003593
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62538681
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide (CID 54996706) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide is NC(=S)CCN(C(=O)CCc1ccco1)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide?
The InChIKey is KLRGLVHBLTUUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-12(18)7-8-15(10-3-4-10)13(16)6-5-11-2-1-9-17-11/h1-2,9-10H,3-8H2,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide has a molecular weight of 266.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide is sourced from PubChem (CID 54996706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).