N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide

C12H18N2O2S — CID 63223498

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
SMILESCC(CC(N)=S)N(C)C(=O)CCc1ccco1
InChIInChI=1S/C12H18N2O2S/c1-9(8-11(13)17)14(2)12(15)6-5-10-4-3-7-16-10/h3-4,7,9H,5-6,8H2,1-2H3,(H2,13,17)
InChIKeyRKWHDARYQYCXQY-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.74
Rot. Bonds6

About N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide (PubChem CID 63223498) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
PubChem CID63223498
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
SMILESCC(CC(N)=S)N(C)C(=O)CCc1ccco1
InChIInChI=1S/C12H18N2O2S/c1-9(8-11(13)17)14(2)12(15)6-5-10-4-3-7-16-10/h3-4,7,9H,5-6,8H2,1-2H3,(H2,13,17)
InChIKeyRKWHDARYQYCXQY-UHFFFAOYSA-N
XLogP1.74
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide
CID 54996706
N-(3-carbamothioylphenyl)-3-(furan-2-yl)-N-methylpropanamide
CID 62971167
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 55207585
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 56789024
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79290960

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide (CID 63223498) is N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide is CC(CC(N)=S)N(C)C(=O)CCc1ccco1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide?
The InChIKey is RKWHDARYQYCXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(8-11(13)17)14(2)12(15)6-5-10-4-3-7-16-10/h3-4,7,9H,5-6,8H2,1-2H3,(H2,13,17).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide has a molecular weight of 254.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 63223498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).