N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C12H18N4OS — CID 57176280

IUPACN-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(N1CCc2nc[nH]c2C1)N(S)C1CCCC1
InChIInChI=1S/C12H18N4OS/c17-12(16(18)9-3-1-2-4-9)15-6-5-10-11(7-15)14-8-13-10/h8-9,18H,1-7H2,(H,13,14)
InChIKeySECJLCLSKKYFII-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.98
Rot. Bonds1

About N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 57176280) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID57176280
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(N1CCc2nc[nH]c2C1)N(S)C1CCCC1
InChIInChI=1S/C12H18N4OS/c17-12(16(18)9-3-1-2-4-9)15-6-5-10-11(7-15)14-8-13-10/h8-9,18H,1-7H2,(H,13,14)
InChIKeySECJLCLSKKYFII-UHFFFAOYSA-N
XLogP1.98
TPSA52.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 57176280) is N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is O=C(N1CCc2nc[nH]c2C1)N(S)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is SECJLCLSKKYFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c17-12(16(18)9-3-1-2-4-9)15-6-5-10-11(7-15)14-8-13-10/h8-9,18H,1-7H2,(H,13,14).
What are the key properties of N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 57176280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).