N-cyclopentyl-7-sulfanylheptanamide

C12H23NOS — CID 118721863

IUPACN-cyclopentyl-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)NC1CCCC1
InChIInChI=1S/C12H23NOS/c14-12(9-3-1-2-6-10-15)13-11-7-4-5-8-11/h11,15H,1-10H2,(H,13,14)
InChIKeyGXOOMZQLPATTMH-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.93
Rot. Bonds7

About N-cyclopentyl-7-sulfanylheptanamide

N-cyclopentyl-7-sulfanylheptanamide (PubChem CID 118721863) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-cyclopentyl-7-sulfanylheptanamide.

Molecular Properties

Compound NameN-cyclopentyl-7-sulfanylheptanamide
PubChem CID118721863
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-cyclopentyl-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)NC1CCCC1
InChIInChI=1S/C12H23NOS/c14-12(9-3-1-2-6-10-15)13-11-7-4-5-8-11/h11,15H,1-10H2,(H,13,14)
InChIKeyGXOOMZQLPATTMH-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-sulfanylheptanamide?
The IUPAC name of N-cyclopentyl-7-sulfanylheptanamide (CID 118721863) is N-cyclopentyl-7-sulfanylheptanamide.
What is the SMILES notation for N-cyclopentyl-7-sulfanylheptanamide?
The canonical SMILES for N-cyclopentyl-7-sulfanylheptanamide is O=C(CCCCCCS)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-7-sulfanylheptanamide?
The InChIKey is GXOOMZQLPATTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c14-12(9-3-1-2-6-10-15)13-11-7-4-5-8-11/h11,15H,1-10H2,(H,13,14).
What are the key properties of N-cyclopentyl-7-sulfanylheptanamide?
N-cyclopentyl-7-sulfanylheptanamide has a molecular weight of 229.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-sulfanylheptanamide is sourced from PubChem (CID 118721863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).