N-(cyclopentylamino)methanethioamide

C6H12N2S — CID 173391146

IUPACN-(cyclopentylamino)methanethioamide
SMILESS=CNNC1CCCC1
InChIInChI=1S/C6H12N2S/c9-5-7-8-6-3-1-2-4-6/h5-6,8H,1-4H2,(H,7,9)
InChIKeyNUCKRVUMZGYEQS-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.98
Rot. Bonds3

About N-(cyclopentylamino)methanethioamide

N-(cyclopentylamino)methanethioamide (PubChem CID 173391146) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is N-(cyclopentylamino)methanethioamide.

Molecular Properties

Compound NameN-(cyclopentylamino)methanethioamide
PubChem CID173391146
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC NameN-(cyclopentylamino)methanethioamide
SMILESS=CNNC1CCCC1
InChIInChI=1S/C6H12N2S/c9-5-7-8-6-3-1-2-4-6/h5-6,8H,1-4H2,(H,7,9)
InChIKeyNUCKRVUMZGYEQS-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylamino)methanethioamide?
The IUPAC name of N-(cyclopentylamino)methanethioamide (CID 173391146) is N-(cyclopentylamino)methanethioamide.
What is the SMILES notation for N-(cyclopentylamino)methanethioamide?
The canonical SMILES for N-(cyclopentylamino)methanethioamide is S=CNNC1CCCC1.
What is the InChIKey of N-(cyclopentylamino)methanethioamide?
The InChIKey is NUCKRVUMZGYEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c9-5-7-8-6-3-1-2-4-6/h5-6,8H,1-4H2,(H,7,9).
What are the key properties of N-(cyclopentylamino)methanethioamide?
N-(cyclopentylamino)methanethioamide has a molecular weight of 144.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylamino)methanethioamide is sourced from PubChem (CID 173391146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).