N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide

C14H27NO2S — CID 131977124

IUPACN-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC/C=C\CCCCCCCC1
InChIInChI=1S/C14H27NO2S/c1-18(16,17)15-14-12-10-8-6-4-2-3-5-7-9-11-13-14/h6,8,14-15H,2-5,7,9-13H2,1H3/b8-6-
InChIKeyZKXGOEWLWVHNNH-VURMDHGXSA-N
MW273.44 g/mol
LogP3.38
Rot. Bonds2

About N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide

N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide (PubChem CID 131977124) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide
PubChem CID131977124
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC/C=C\CCCCCCCC1
InChIInChI=1S/C14H27NO2S/c1-18(16,17)15-14-12-10-8-6-4-2-3-5-7-9-11-13-14/h6,8,14-15H,2-5,7,9-13H2,1H3/b8-6-
InChIKeyZKXGOEWLWVHNNH-VURMDHGXSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide?
The IUPAC name of N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide (CID 131977124) is N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide?
The canonical SMILES for N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide is CS(=O)(=O)NC1CC/C=C\CCCCCCCC1.
What is the InChIKey of N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide?
The InChIKey is ZKXGOEWLWVHNNH-VURMDHGXSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-18(16,17)15-14-12-10-8-6-4-2-3-5-7-9-11-13-14/h6,8,14-15H,2-5,7,9-13H2,1H3/b8-6-.
What are the key properties of N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide?
N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide has a molecular weight of 273.44 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-cyclotridec-4-en-1-yl]methanesulfonamide is sourced from PubChem (CID 131977124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).