(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide

C14H25NO3S — CID 95652956

IUPAC(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide
SMILESC/C=C/CS(=O)(=O)[C@@H](C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H25NO3S/c1-4-5-10-19(17,18)12(3)14(16)15-13-8-6-11(2)7-9-13/h4-5,11-13H,6-10H2,1-3H3,(H,15,16)/b5-4+/t11?,12-,13?/m0/s1
InChIKeyLJVOBRHKBDXQKG-QGVCGZFUSA-N
MW287.42 g/mol
LogP2.06
Rot. Bonds5

About (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide

(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide (PubChem CID 95652956) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide
PubChem CID95652956
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide
SMILESC/C=C/CS(=O)(=O)[C@@H](C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H25NO3S/c1-4-5-10-19(17,18)12(3)14(16)15-13-8-6-11(2)7-9-13/h4-5,11-13H,6-10H2,1-3H3,(H,15,16)/b5-4+/t11?,12-,13?/m0/s1
InChIKeyLJVOBRHKBDXQKG-QGVCGZFUSA-N
XLogP2.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide (CID 95652956) is (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide is C/C=C/CS(=O)(=O)[C@@H](C)C(=O)NC1CCC(C)CC1.
What is the InChIKey of (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide?
The InChIKey is LJVOBRHKBDXQKG-QGVCGZFUSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-4-5-10-19(17,18)12(3)14(16)15-13-8-6-11(2)7-9-13/h4-5,11-13H,6-10H2,1-3H3,(H,15,16)/b5-4+/t11?,12-,13?/m0/s1.
What are the key properties of (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide?
(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide has a molecular weight of 287.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 95652956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).