N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide

C17H31NO2S — CID 102388635

IUPACN-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESC=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1CCCC
InChIInChI=1S/C17H31NO2S/c1-6-8-11-15-12-10-14-17(15,13-9-7-2)18-21(19,20)16(3,4)5/h7,12,18H,2,6,8-11,13-14H2,1,3-5H3
InChIKeyDXMYELZYGKZISG-UHFFFAOYSA-N
MW313.51 g/mol
LogP4.32
Rot. Bonds8

About N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide

N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide (PubChem CID 102388635) has the molecular formula C17H31NO2S and a molecular weight of 313.51 g/mol. Its IUPAC name is N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
PubChem CID102388635
Molecular FormulaC17H31NO2S
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC NameN-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESC=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1CCCC
InChIInChI=1S/C17H31NO2S/c1-6-8-11-15-12-10-14-17(15,13-9-7-2)18-21(19,20)16(3,4)5/h7,12,18H,2,6,8-11,13-14H2,1,3-5H3
InChIKeyDXMYELZYGKZISG-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 54.32
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-(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
N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide
CID 134998511
N-(2-butan-2-yl-1-but-3-enylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 134998512
(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
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-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide (CID 102388635) is N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide is C=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1CCCC.
What is the InChIKey of N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is DXMYELZYGKZISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2S/c1-6-8-11-15-12-10-14-17(15,13-9-7-2)18-21(19,20)16(3,4)5/h7,12,18H,2,6,8-11,13-14H2,1,3-5H3.
What are the key properties of N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 313.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 102388635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).