(S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide

C11H21NOS — CID 162413864

IUPAC(S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide
SMILESC#C[C@H](CC(C)C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H21NOS/c1-7-10(8-9(2)3)12-14(13)11(4,5)6/h1,9-10,12H,8H2,2-6H3/t10-,14+/m1/s1
InChIKeyHUWZLEYQHSVEJR-YGRLFVJLSA-N
MW215.36 g/mol
LogP2.09
Rot. Bonds4

About (S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide (PubChem CID 162413864) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is (S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide
PubChem CID162413864
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name(S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide
SMILESC#C[C@H](CC(C)C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H21NOS/c1-7-10(8-9(2)3)12-14(13)11(4,5)6/h1,9-10,12H,8H2,2-6H3/t10-,14+/m1/s1
InChIKeyHUWZLEYQHSVEJR-YGRLFVJLSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.09
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 (S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide (CID 162413864) is (S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide is C#C[C@H](CC(C)C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide?
The InChIKey is HUWZLEYQHSVEJR-YGRLFVJLSA-N. The full InChI is InChI=1S/C11H21NOS/c1-7-10(8-9(2)3)12-14(13)11(4,5)6/h1,9-10,12H,8H2,2-6H3/t10-,14+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide has a molecular weight of 215.36 g/mol, XLogP of 2.09, 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-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 162413864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).