N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide

C9H11ClN2OS2 — CID 80645165

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1sccc1Cl)C(N)=S
InChIInChI=1S/C9H11ClN2OS2/c1-9(2,8(11)14)12-7(13)6-5(10)3-4-15-6/h3-4H,1-2H3,(H2,11,14)(H,12,13)
InChIKeyJRLPPQAYIUXZNC-UHFFFAOYSA-N
MW262.79 g/mol
LogP2.20
Rot. Bonds3

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide (PubChem CID 80645165) has the molecular formula C9H11ClN2OS2 and a molecular weight of 262.79 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide
PubChem CID80645165
Molecular FormulaC9H11ClN2OS2
Molecular Weight262.79 g/mol
Exact Mass262.00
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1sccc1Cl)C(N)=S
InChIInChI=1S/C9H11ClN2OS2/c1-9(2,8(11)14)12-7(13)6-5(10)3-4-15-6/h3-4H,1-2H3,(H2,11,14)(H,12,13)
InChIKeyJRLPPQAYIUXZNC-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.79
LogP ≤ 52.20
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-carbamoyl-3-chlorothiophene-2-carboxamide
CID 80642165
N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
CID 80644124
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61119636
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide
CID 61118833
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 81122517
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66463794
3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide
CID 80644116
N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
CID 80643926
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-chloro-2-methylbenzamide
CID 82883904
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide
CID 61126113
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-chlorothiophene-2-carboxamide
CID 80642272

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide (CID 80645165) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide is CC(C)(NC(=O)c1sccc1Cl)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide?
The InChIKey is JRLPPQAYIUXZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS2/c1-9(2,8(11)14)12-7(13)6-5(10)3-4-15-6/h3-4H,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide has a molecular weight of 262.79 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 80645165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).