N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide

C15H22ClNOS — CID 126642010

IUPACN-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@H](Cc1ccc(Cl)cc1)NS(=O)C(C)(C)C
InChIInChI=1S/C15H22ClNOS/c1-5-6-14(17-19(18)15(2,3)4)11-12-7-9-13(16)10-8-12/h5,7-10,14,17H,1,6,11H2,2-4H3/t14-,19?/m1/s1
InChIKeyHHJVFVAOLMGAKZ-MJTSIZKDSA-N
MW299.87 g/mol
LogP3.88
Rot. Bonds6

About N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide

N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 126642010) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID126642010
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC NameN-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@H](Cc1ccc(Cl)cc1)NS(=O)C(C)(C)C
InChIInChI=1S/C15H22ClNOS/c1-5-6-14(17-19(18)15(2,3)4)11-12-7-9-13(16)10-8-12/h5,7-10,14,17H,1,6,11H2,2-4H3/t14-,19?/m1/s1
InChIKeyHHJVFVAOLMGAKZ-MJTSIZKDSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide (CID 126642010) is N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide is C=CC[C@H](Cc1ccc(Cl)cc1)NS(=O)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is HHJVFVAOLMGAKZ-MJTSIZKDSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-5-6-14(17-19(18)15(2,3)4)11-12-7-9-13(16)10-8-12/h5,7-10,14,17H,1,6,11H2,2-4H3/t14-,19?/m1/s1.
What are the key properties of N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 299.87 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 126642010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).