N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide

C10H18N2OS — CID 82103692

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
SMILESCCCN(CCC(N)=S)C(=O)C1CC1
InChIInChI=1S/C10H18N2OS/c1-2-6-12(7-5-9(11)14)10(13)8-3-4-8/h8H,2-7H2,1H3,(H2,11,14)
InChIKeyJATZJJXOIXKSIE-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.31
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide (PubChem CID 82103692) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
PubChem CID82103692
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
SMILESCCCN(CCC(N)=S)C(=O)C1CC1
InChIInChI=1S/C10H18N2OS/c1-2-6-12(7-5-9(11)14)10(13)8-3-4-8/h8H,2-7H2,1H3,(H2,11,14)
InChIKeyJATZJJXOIXKSIE-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide (CID 82103692) is N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide is CCCN(CCC(N)=S)C(=O)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide?
The InChIKey is JATZJJXOIXKSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-6-12(7-5-9(11)14)10(13)8-3-4-8/h8H,2-7H2,1H3,(H2,11,14).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide has a molecular weight of 214.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide is sourced from PubChem (CID 82103692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).