N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide

C12H20N2OS — CID 82103875

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
SMILESNC(=S)CCN(C(=O)C1CC1)C1CCCC1
InChIInChI=1S/C12H20N2OS/c13-11(16)7-8-14(10-3-1-2-4-10)12(15)9-5-6-9/h9-10H,1-8H2,(H2,13,16)
InChIKeyBTFXFKAQWHEGKI-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.84
Rot. Bonds5

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

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide (PubChem CID 82103875) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
PubChem CID82103875
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
SMILESNC(=S)CCN(C(=O)C1CC1)C1CCCC1
InChIInChI=1S/C12H20N2OS/c13-11(16)7-8-14(10-3-1-2-4-10)12(15)9-5-6-9/h9-10H,1-8H2,(H2,13,16)
InChIKeyBTFXFKAQWHEGKI-UHFFFAOYSA-N
XLogP1.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
N-(2-aminoethyl)-N-cyclopentylcyclohexanecarboxamide
CID 63754803
methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
CID 48865248
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexylpentanamide
CID 82103900
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide
CID 82103905
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
CID 82103917
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784
N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
CID 24695589

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide (CID 82103875) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide is NC(=S)CCN(C(=O)C1CC1)C1CCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide?
The InChIKey is BTFXFKAQWHEGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c13-11(16)7-8-14(10-3-1-2-4-10)12(15)9-5-6-9/h9-10H,1-8H2,(H2,13,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide has a molecular weight of 240.37 g/mol, XLogP of 1.84, 5 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-cyclopentylcyclopropanecarboxamide is sourced from PubChem (CID 82103875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).