(S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide

C12H25NOS — CID 134925990

IUPAC(S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@](C)(N[S@@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C12H25NOS/c1-8-9-12(7,10(2)3)13-15(14)11(4,5)6/h8,10,13H,1,9H2,2-7H3/t12-,15-/m0/s1
InChIKeyQXVRCIMQTHDZCV-WFASDCNBSA-N
MW231.40 g/mol
LogP3.03
Rot. Bonds5

About (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 134925990) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID134925990
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@](C)(N[S@@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C12H25NOS/c1-8-9-12(7,10(2)3)13-15(14)11(4,5)6/h8,10,13H,1,9H2,2-7H3/t12-,15-/m0/s1
InChIKeyQXVRCIMQTHDZCV-WFASDCNBSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-methyl-N-[(3R)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 71573514
(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 125475744
(R)-2-methyl-N-[(3S)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 134963746
(S)-N-[(4R)-4,6-dimethylhept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 134965670
(R)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135000202
2-methyl-N-(1,1,1-trifluoro-2,3-dimethylpent-4-en-2-yl)propane-2-sulfinamide
CID 177537295
(R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 125475737
N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfinamide
CID 117930567
(R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide
CID 146474161
N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
CID 164871229
2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide
CID 164871272
2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide
CID 164871827

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide (CID 134925990) is (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide is C=CC[C@](C)(N[S@@](=O)C(C)(C)C)C(C)C.
What is the InChIKey of (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is QXVRCIMQTHDZCV-WFASDCNBSA-N. The full InChI is InChI=1S/C12H25NOS/c1-8-9-12(7,10(2)3)13-15(14)11(4,5)6/h8,10,13H,1,9H2,2-7H3/t12-,15-/m0/s1.
What are the key properties of (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 231.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134925990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).