(S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide

C8H15NOS — CID 162408221

IUPAC(S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide
SMILESC#C[C@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C8H15NOS/c1-6-7(2)9-11(10)8(3,4)5/h1,7,9H,2-5H3/t7-,11-/m0/s1
InChIKeyIWWHMOGVLTVCDZ-CPCISQLKSA-N
MW173.28 g/mol
LogP1.06
Rot. Bonds2

About (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 162408221) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID162408221
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name(S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide
SMILESC#C[C@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C8H15NOS/c1-6-7(2)9-11(10)8(3,4)5/h1,7,9H,2-5H3/t7-,11-/m0/s1
InChIKeyIWWHMOGVLTVCDZ-CPCISQLKSA-N
XLogP1.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide
CID 134256765
(R)-N-[(2S)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 15455975
(R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide
CID 46177920
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
(S)-2-methyl-N-[(3S)-5-methylhex-1-yn-3-yl]propane-2-sulfinamide
CID 162413864
2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide
CID 87354534
2-methyl-N-pent-2-ynylpropane-2-sulfinamide
CID 87612031
N-butan-2-yl-2-methylpropane-2-sulfinamide
CID 123669908
2-methyl-N-[(3S)-2-methylhex-4-yn-3-yl]propane-2-sulfinamide
CID 132249257
2-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]propane-2-sulfinamide
CID 134249508
Tert-butyl-(4-methylpent-1-yn-3-ylamino)-oxidosulfanium
CID 173806594
N-but-3-ynyl-2-methylpropane-2-sulfonamide
CID 64087371

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide (CID 162408221) is (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide is C#C[C@H](C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is IWWHMOGVLTVCDZ-CPCISQLKSA-N. The full InChI is InChI=1S/C8H15NOS/c1-6-7(2)9-11(10)8(3,4)5/h1,7,9H,2-5H3/t7-,11-/m0/s1.
What are the key properties of (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 173.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162408221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).