(S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide

C11H23NOS — CID 125475589

IUPAC(S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide
SMILESC=CC(CC)(CC)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-7-11(8-2,9-3)12-14(13)10(4,5)6/h7,12H,1,8-9H2,2-6H3/t14-/m0/s1
InChIKeyXDMMIIASFKXGAV-AWEZNQCLSA-N
MW217.38 g/mol
LogP2.78
Rot. Bonds5

About (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide

(S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide (PubChem CID 125475589) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide
PubChem CID125475589
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name(S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide
SMILESC=CC(CC)(CC)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-7-11(8-2,9-3)12-14(13)10(4,5)6/h7,12H,1,8-9H2,2-6H3/t14-/m0/s1
InChIKeyXDMMIIASFKXGAV-AWEZNQCLSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.78
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 (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide (CID 125475589) is (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide is C=CC(CC)(CC)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is XDMMIIASFKXGAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C11H23NOS/c1-7-11(8-2,9-3)12-14(13)10(4,5)6/h7,12H,1,8-9H2,2-6H3/t14-/m0/s1.
What are the key properties of (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide?
(S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 217.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(3-ethylpent-1-en-3-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 125475589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).