N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide

C12H18N2OS2 — CID 82103657

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
SMILESCCCCN(CCC(N)=S)C(=O)c1cccs1
InChIInChI=1S/C12H18N2OS2/c1-2-3-7-14(8-6-11(13)16)12(15)10-5-4-9-17-10/h4-5,9H,2-3,6-8H2,1H3,(H2,13,16)
InChIKeyNIXWDSPUNQPHCE-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.67
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide (PubChem CID 82103657) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
PubChem CID82103657
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
SMILESCCCCN(CCC(N)=S)C(=O)c1cccs1
InChIInChI=1S/C12H18N2OS2/c1-2-3-7-14(8-6-11(13)16)12(15)10-5-4-9-17-10/h4-5,9H,2-3,6-8H2,1H3,(H2,13,16)
InChIKeyNIXWDSPUNQPHCE-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.67
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-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide
CID 82103669
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
N-butylthiophene-2-carbohydrazide
CID 54350563
N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide
CID 24708596
N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide
CID 82103676
N,N-diethylthiophene-2-carboxamide
CID 962897
2-methyl-3-[pentyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324480
CID 69259223
CID 69259223
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324429
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide (CID 82103657) is N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide is CCCCN(CCC(N)=S)C(=O)c1cccs1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide?
The InChIKey is NIXWDSPUNQPHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-2-3-7-14(8-6-11(13)16)12(15)10-5-4-9-17-10/h4-5,9H,2-3,6-8H2,1H3,(H2,13,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide is sourced from PubChem (CID 82103657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).