N-(5-aminopentyl)thiolane-3-carboxamide

C10H20N2OS — CID 149010964

IUPACN-(5-aminopentyl)thiolane-3-carboxamide
SMILESNCCCCCNC(=O)C1CCSC1
InChIInChI=1S/C10H20N2OS/c11-5-2-1-3-6-12-10(13)9-4-7-14-8-9/h9H,1-8,11H2,(H,12,13)
InChIKeyQBNGLPRDNMECNN-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.98
Rot. Bonds6

About N-(5-aminopentyl)thiolane-3-carboxamide

N-(5-aminopentyl)thiolane-3-carboxamide (PubChem CID 149010964) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(5-aminopentyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)thiolane-3-carboxamide
PubChem CID149010964
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(5-aminopentyl)thiolane-3-carboxamide
SMILESNCCCCCNC(=O)C1CCSC1
InChIInChI=1S/C10H20N2OS/c11-5-2-1-3-6-12-10(13)9-4-7-14-8-9/h9H,1-8,11H2,(H,12,13)
InChIKeyQBNGLPRDNMECNN-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)thiolane-3-carboxamide?
The IUPAC name of N-(5-aminopentyl)thiolane-3-carboxamide (CID 149010964) is N-(5-aminopentyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)thiolane-3-carboxamide?
The canonical SMILES for N-(5-aminopentyl)thiolane-3-carboxamide is NCCCCCNC(=O)C1CCSC1.
What is the InChIKey of N-(5-aminopentyl)thiolane-3-carboxamide?
The InChIKey is QBNGLPRDNMECNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c11-5-2-1-3-6-12-10(13)9-4-7-14-8-9/h9H,1-8,11H2,(H,12,13).
What are the key properties of N-(5-aminopentyl)thiolane-3-carboxamide?
N-(5-aminopentyl)thiolane-3-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)thiolane-3-carboxamide is sourced from PubChem (CID 149010964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).