2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide

C12H23NOS — CID 170428853

IUPAC2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide
SMILESC=CCC1(NS(=O)C(C)(C)C)CCCC1
InChIInChI=1S/C12H23NOS/c1-5-8-12(9-6-7-10-12)13-15(14)11(2,3)4/h5,13H,1,6-10H2,2-4H3
InChIKeyQENPFIROVUOSGM-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.93
Rot. Bonds4

About 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide

2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide (PubChem CID 170428853) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide
PubChem CID170428853
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide
SMILESC=CCC1(NS(=O)C(C)(C)C)CCCC1
InChIInChI=1S/C12H23NOS/c1-5-8-12(9-6-7-10-12)13-15(14)11(2,3)4/h5,13H,1,6-10H2,2-4H3
InChIKeyQENPFIROVUOSGM-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.93
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)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 125475744
(S)-N-[(4R)-4,6-dimethylhept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 134965670
(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-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide
CID 164871827
Tert-butyl-(4-methyloct-1-en-4-ylamino)-oxidosulfanium
CID 173848232
tert-butyl-[[(4R)-4-methyloct-1-en-4-yl]amino]-oxidosulfanium
CID 173851723
2-Methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium
CID 175492445
N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide
CID 102107436
2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide
CID 102107438
N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide
CID 121015647
(R)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 125475743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide (CID 170428853) is 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide is C=CCC1(NS(=O)C(C)(C)C)CCCC1.
What is the InChIKey of 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide?
The InChIKey is QENPFIROVUOSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-5-8-12(9-6-7-10-12)13-15(14)11(2,3)4/h5,13H,1,6-10H2,2-4H3.
What are the key properties of 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide?
2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide has a molecular weight of 229.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide is sourced from PubChem (CID 170428853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).