N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide

C17H31NO2S — CID 134998512

IUPACN-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESC=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1C(C)CC
InChIInChI=1S/C17H31NO2S/c1-7-9-12-17(18-21(19,20)16(4,5)6)13-10-11-15(17)14(3)8-2/h7,11,14,18H,1,8-10,12-13H2,2-6H3
InChIKeyRDFDKUAQRXSMKW-UHFFFAOYSA-N
MW313.51 g/mol
LogP4.18
Rot. Bonds7

About N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide

N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide (PubChem CID 134998512) has the molecular formula C17H31NO2S and a molecular weight of 313.51 g/mol. Its IUPAC name is N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
PubChem CID134998512
Molecular FormulaC17H31NO2S
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC NameN-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESC=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1C(C)CC
InChIInChI=1S/C17H31NO2S/c1-7-9-12-17(18-21(19,20)16(4,5)6)13-10-11-15(17)14(3)8-2/h7,11,14,18H,1,8-10,12-13H2,2-6H3
InChIKeyRDFDKUAQRXSMKW-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 54.18
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

N-(1-but-3-enyl-2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 25105291
N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388635
N-(2-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388640
N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388642
N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 134998037
N-(2-butyl-1-methylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 134998503
(S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide
CID 139182387
4-Amino-4-hexadecylcyclohexa-1,5-diene-1-sulfonyl chloride
CID 154210475
3-(2-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-2lambda6-thia-1-azaspiro[4.5]dec-3-ene 2,2-dioxide
CID 164102562
(R)-2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide
CID 11278810
2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide
CID 101366426
N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide
CID 102388638

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide (CID 134998512) is N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide is C=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1C(C)CC.
What is the InChIKey of N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is RDFDKUAQRXSMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2S/c1-7-9-12-17(18-21(19,20)16(4,5)6)13-10-11-15(17)14(3)8-2/h7,11,14,18H,1,8-10,12-13H2,2-6H3.
What are the key properties of N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 313.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 134998512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).