N-(2-carbamothioylcyclopentyl)formamide

C7H12N2OS — CID 64991853

IUPACN-(2-carbamothioylcyclopentyl)formamide
SMILESNC(=S)C1CCCC1NC=O
InChIInChI=1S/C7H12N2OS/c8-7(11)5-2-1-3-6(5)9-4-10/h4-6H,1-3H2,(H2,8,11)(H,9,10)
InChIKeyHDSBEVGSYSALHA-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.19
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)formamide

N-(2-carbamothioylcyclopentyl)formamide (PubChem CID 64991853) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)formamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)formamide
PubChem CID64991853
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-(2-carbamothioylcyclopentyl)formamide
SMILESNC(=S)C1CCCC1NC=O
InChIInChI=1S/C7H12N2OS/c8-7(11)5-2-1-3-6(5)9-4-10/h4-6H,1-3H2,(H2,8,11)(H,9,10)
InChIKeyHDSBEVGSYSALHA-UHFFFAOYSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)formamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)formamide (CID 64991853) is N-(2-carbamothioylcyclopentyl)formamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)formamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)formamide is NC(=S)C1CCCC1NC=O.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)formamide?
The InChIKey is HDSBEVGSYSALHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c8-7(11)5-2-1-3-6(5)9-4-10/h4-6H,1-3H2,(H2,8,11)(H,9,10).
What are the key properties of N-(2-carbamothioylcyclopentyl)formamide?
N-(2-carbamothioylcyclopentyl)formamide has a molecular weight of 172.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)formamide is sourced from PubChem (CID 64991853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).