N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide

C12H18N2OS2 — CID 65239054

IUPACN-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCC(CC(N)=S)NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C12H18N2OS2/c1-4-9(6-11(13)16)14-12(15)10-5-7(2)8(3)17-10/h5,9H,4,6H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyORJXPZGSMGOUJC-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.55
Rot. Bonds5

About N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide

N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65239054) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID65239054
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCC(CC(N)=S)NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C12H18N2OS2/c1-4-9(6-11(13)16)14-12(15)10-5-7(2)8(3)17-10/h5,9H,4,6H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyORJXPZGSMGOUJC-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.55
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-(1-chlorobutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 114294744
N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 62652167
N-(3-carbamothioylpentan-3-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65238698
(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821349
N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239005
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-hydroxy-4-methylbenzamide
CID 62652346
N-(1-amino-1-sulfanylidenepentan-3-yl)-2,6-dihydroxybenzamide
CID 107688701
N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide
CID 103529059
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-bromo-3-methylbenzamide
CID 107982269
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide
CID 62652001
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153074

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide (CID 65239054) is N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide is CCC(CC(N)=S)NC(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is ORJXPZGSMGOUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-4-9(6-11(13)16)14-12(15)10-5-7(2)8(3)17-10/h5,9H,4,6H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide?
N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65239054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).