(S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide

C9H19NOS — CID 90206983

IUPAC(S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide
SMILESC=CC[C@@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h6,8,10H,1,7H2,2-5H3/t8-,12+/m1/s1
InChIKeyZAZOAVAFHMJYEP-PELKAZGASA-N
MW189.32 g/mol
LogP2.00
Rot. Bonds4

About (S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide (PubChem CID 90206983) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide
PubChem CID90206983
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide
SMILESC=CC[C@@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h6,8,10H,1,7H2,2-5H3/t8-,12+/m1/s1
InChIKeyZAZOAVAFHMJYEP-PELKAZGASA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.00
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)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide (CID 90206983) is (S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide is C=CC[C@@H](C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide?
The InChIKey is ZAZOAVAFHMJYEP-PELKAZGASA-N. The full InChI is InChI=1S/C9H19NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h6,8,10H,1,7H2,2-5H3/t8-,12+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide has a molecular weight of 189.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(2R)-pent-4-en-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 90206983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).