N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C13H18N2OS2 — CID 62652167

IUPACN-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCC(CC(N)=S)NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C13H18N2OS2/c1-2-9(7-12(14)17)15-13(16)11-6-8-4-3-5-10(8)18-11/h6,9H,2-5,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeySTBFLFRFJBXFGK-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.42
Rot. Bonds5

About N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 62652167) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID62652167
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC NameN-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCC(CC(N)=S)NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C13H18N2OS2/c1-2-9(7-12(14)17)15-13(16)11-6-8-4-3-5-10(8)18-11/h6,9H,2-5,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeySTBFLFRFJBXFGK-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.42
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-amino-1-sulfanylidenebutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 61121079
N-(1-hydroxybutan-2-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43390395
N-(1,3-dihydroxypropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 65312309
N-butan-2-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60629228
N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65239054
N-(3-oxopentan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 64991578
N-[(2R)-1-aminopropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 104872897
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684415
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-(2-ethylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 113232032
N-(1-bromopropan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114310501
2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pentanoic acid
CID 43630338

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 62652167) is N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CCC(CC(N)=S)NC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is STBFLFRFJBXFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-2-9(7-12(14)17)15-13(16)11-6-8-4-3-5-10(8)18-11/h6,9H,2-5,7H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(1-amino-1-sulfanylidenepentan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.42, 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)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 62652167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).