N-(disulfanyl)cyclohexene-1-carboxamide

C7H11NOS2 — CID 146637158

IUPACN-(disulfanyl)cyclohexene-1-carboxamide
SMILESO=C(NSS)C1=CCCCC1
InChIInChI=1S/C7H11NOS2/c9-7(8-11-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9)
InChIKeyJPZNKEZNJGFFHB-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.10
Rot. Bonds2

About N-(disulfanyl)cyclohexene-1-carboxamide

N-(disulfanyl)cyclohexene-1-carboxamide (PubChem CID 146637158) has the molecular formula C7H11NOS2 and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(disulfanyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(disulfanyl)cyclohexene-1-carboxamide
PubChem CID146637158
Molecular FormulaC7H11NOS2
Molecular Weight189.30 g/mol
Exact Mass189.03
IUPAC NameN-(disulfanyl)cyclohexene-1-carboxamide
SMILESO=C(NSS)C1=CCCCC1
InChIInChI=1S/C7H11NOS2/c9-7(8-11-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9)
InChIKeyJPZNKEZNJGFFHB-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(disulfanyl)cyclohexene-1-carboxamide?
The IUPAC name of N-(disulfanyl)cyclohexene-1-carboxamide (CID 146637158) is N-(disulfanyl)cyclohexene-1-carboxamide.
What is the SMILES notation for N-(disulfanyl)cyclohexene-1-carboxamide?
The canonical SMILES for N-(disulfanyl)cyclohexene-1-carboxamide is O=C(NSS)C1=CCCCC1.
What is the InChIKey of N-(disulfanyl)cyclohexene-1-carboxamide?
The InChIKey is JPZNKEZNJGFFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS2/c9-7(8-11-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9).
What are the key properties of N-(disulfanyl)cyclohexene-1-carboxamide?
N-(disulfanyl)cyclohexene-1-carboxamide has a molecular weight of 189.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(disulfanyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 146637158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).