2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide

C10H19NOS — CID 134249508

IUPAC2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide
SMILESC#C[C@@H](NS(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H19NOS/c1-7-9(8(2)3)11-13(12)10(4,5)6/h1,8-9,11H,2-6H3/t9-,13?/m1/s1
InChIKeyUJXLROXESJJWQQ-CGCSKFHYSA-N
MW201.33 g/mol
LogP1.70
Rot. Bonds3

About 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide

2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide (PubChem CID 134249508) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide
PubChem CID134249508
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide
SMILESC#C[C@@H](NS(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H19NOS/c1-7-9(8(2)3)11-13(12)10(4,5)6/h1,8-9,11H,2-6H3/t9-,13?/m1/s1
InChIKeyUJXLROXESJJWQQ-CGCSKFHYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide (CID 134249508) is 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide is C#C[C@@H](NS(=O)C(C)(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide?
The InChIKey is UJXLROXESJJWQQ-CGCSKFHYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-7-9(8(2)3)11-13(12)10(4,5)6/h1,8-9,11H,2-6H3/t9-,13?/m1/s1.
What are the key properties of 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide?
2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide has a molecular weight of 201.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 134249508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).