N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide

C14H27NOS — CID 101416911

IUPACN-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@H](NS(=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H27NOS/c1-5-9-13(12-10-7-6-8-11-12)15-17(16)14(2,3)4/h5,12-13,15H,1,6-11H2,2-4H3/t13-,17?/m0/s1
InChIKeyNLKCTGYERQGAGV-CWQZNGJJSA-N
MW257.44 g/mol
LogP3.56
Rot. Bonds5

About N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 101416911) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
PubChem CID101416911
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@H](NS(=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H27NOS/c1-5-9-13(12-10-7-6-8-11-12)15-17(16)14(2,3)4/h5,12-13,15H,1,6-11H2,2-4H3/t13-,17?/m0/s1
InChIKeyNLKCTGYERQGAGV-CWQZNGJJSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.56
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-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide (CID 101416911) is N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide is C=CC[C@H](NS(=O)C(C)(C)C)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is NLKCTGYERQGAGV-CWQZNGJJSA-N. The full InChI is InChI=1S/C14H27NOS/c1-5-9-13(12-10-7-6-8-11-12)15-17(16)14(2,3)4/h5,12-13,15H,1,6-11H2,2-4H3/t13-,17?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 257.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 101416911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).