N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide

C9H17NO2S — CID 24749771

IUPACN-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1C=CCC1
InChIInChI=1S/C9H17NO2S/c1-9(2,3)13(11,12)10-8-6-4-5-7-8/h4,6,8,10H,5,7H2,1-3H3/t8-/m1/s1
InChIKeyKWSLWDUPHSGRFN-MRVPVSSYSA-N
MW203.31 g/mol
LogP1.42
Rot. Bonds2

About N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide

N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide (PubChem CID 24749771) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide
PubChem CID24749771
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1C=CCC1
InChIInChI=1S/C9H17NO2S/c1-9(2,3)13(11,12)10-8-6-4-5-7-8/h4,6,8,10H,5,7H2,1-3H3/t8-/m1/s1
InChIKeyKWSLWDUPHSGRFN-MRVPVSSYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-3-fluoro-2-methyl-N-propan-2-ylhexa-1,4-diene-3-sulfonamide
CID 169660508
(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 46946711
N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388633
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
N-2,7-octadienyl-n-butanesulfonamide
CID 129812590
(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide
CID 131866049
(R)-N-[(Z,2R)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945406
(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945442
(R)-N-[(Z,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945451
(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
CID 134964096
N-[(5R,6E,8R)-8-(tert-butylsulfonylamino)dodeca-1,6,11-trien-5-yl]-2-methylpropane-2-sulfonamide
CID 134996783
2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
CID 134998499

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide (CID 24749771) is N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N[C@@H]1C=CCC1.
What is the InChIKey of N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is KWSLWDUPHSGRFN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2,3)13(11,12)10-8-6-4-5-7-8/h4,6,8,10H,5,7H2,1-3H3/t8-/m1/s1.
What are the key properties of N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide?
N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 24749771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).