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

C14H29NOSSi — CID 59197567

IUPAC(S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide
SMILESCC(C)[C@@H](C#C[Si](C)(C)C)N(C)[S@@](=O)C(C)(C)C
InChIInChI=1S/C14H29NOSSi/c1-12(2)13(10-11-18(7,8)9)15(6)17(16)14(3,4)5/h12-13H,1-9H3/t13-,17+/m1/s1
InChIKeyROYSZTYRWUZPEA-DYVFJYSZSA-N
MW287.55 g/mol
LogP3.29
Rot. Bonds3

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

(S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide (PubChem CID 59197567) has the molecular formula C14H29NOSSi and a molecular weight of 287.55 g/mol. Its IUPAC name is (S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide
PubChem CID59197567
Molecular FormulaC14H29NOSSi
Molecular Weight287.55 g/mol
Exact Mass287.17
IUPAC Name(S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide
SMILESCC(C)[C@@H](C#C[Si](C)(C)C)N(C)[S@@](=O)C(C)(C)C
InChIInChI=1S/C14H29NOSSi/c1-12(2)13(10-11-18(7,8)9)15(6)17(16)14(3,4)5/h12-13H,1-9H3/t13-,17+/m1/s1
InChIKeyROYSZTYRWUZPEA-DYVFJYSZSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.55
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
CID 102502700
(3S,4R)-4-(dibenzylamino)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101257956
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
(S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 178184127
4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol
CID 134880592
2,2,3-trimethyl-5-trimethylsilylpent-4-yn-1-amine
CID 100943521
(R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 53243365
3,5-dimethylhept-1-ynyl(trimethyl)silane
CID 58467900
N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline
CID 86258799
(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
CID 14084682
(3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101156045
(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide
CID 11817385

Frequently Asked Questions

What is the IUPAC name of (S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide?
The IUPAC name of (S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide (CID 59197567) is (S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide is CC(C)[C@@H](C#C[Si](C)(C)C)N(C)[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide?
The InChIKey is ROYSZTYRWUZPEA-DYVFJYSZSA-N. The full InChI is InChI=1S/C14H29NOSSi/c1-12(2)13(10-11-18(7,8)9)15(6)17(16)14(3,4)5/h12-13H,1-9H3/t13-,17+/m1/s1.
What are the key properties of (S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide?
(S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide has a molecular weight of 287.55 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 59197567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).