N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide

C12H14Cl2N2OS2 — CID 107961828

IUPACN-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
SMILESNC(=S)CN(C(=O)c1cc(Cl)sc1Cl)C1CCCC1
InChIInChI=1S/C12H14Cl2N2OS2/c13-9-5-8(11(14)19-9)12(17)16(6-10(15)18)7-3-1-2-4-7/h5,7H,1-4,6H2,(H2,15,18)
InChIKeyGSDZXTWJMYXPNL-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.73
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide

N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide (PubChem CID 107961828) has the molecular formula C12H14Cl2N2OS2 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
PubChem CID107961828
Molecular FormulaC12H14Cl2N2OS2
Molecular Weight337.30 g/mol
Exact Mass335.99
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
SMILESNC(=S)CN(C(=O)c1cc(Cl)sc1Cl)C1CCCC1
InChIInChI=1S/C12H14Cl2N2OS2/c13-9-5-8(11(14)19-9)12(17)16(6-10(15)18)7-3-1-2-4-7/h5,7H,1-4,6H2,(H2,15,18)
InChIKeyGSDZXTWJMYXPNL-UHFFFAOYSA-N
XLogP3.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.73
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-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
CID 107961735
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 114021798
2-[(2,5-dichlorothiophene-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211309
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide
CID 103401827
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,4,6-trifluorobenzamide
CID 65098586
N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
CID 107951244
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266548
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 77044861
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107966136
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide (CID 107961828) is N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide is NC(=S)CN(C(=O)c1cc(Cl)sc1Cl)C1CCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide?
The InChIKey is GSDZXTWJMYXPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS2/c13-9-5-8(11(14)19-9)12(17)16(6-10(15)18)7-3-1-2-4-7/h5,7H,1-4,6H2,(H2,15,18).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide is sourced from PubChem (CID 107961828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).