2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide

C10H17NO2S — CID 163971904

IUPAC2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC1=C(S(=O)(=O)NC(C)C)C=CCC1
InChIInChI=1S/C10H17NO2S/c1-8(2)11-14(12,13)10-7-5-4-6-9(10)3/h5,7-8,11H,4,6H2,1-3H3
InChIKeySQSAVSLWXHRSAA-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.94
Rot. Bonds3

About 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide

2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 163971904) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID163971904
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC1=C(S(=O)(=O)NC(C)C)C=CCC1
InChIInChI=1S/C10H17NO2S/c1-8(2)11-14(12,13)10-7-5-4-6-9(10)3/h5,7-8,11H,4,6H2,1-3H3
InChIKeySQSAVSLWXHRSAA-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-prop-1-en-2-yl-N-(1,1,1-trifluoropropan-2-yl)octa-2,4,6-triene-4-sulfonamide
CID 123347096
4-methyl-N-(1,1,1-trifluoropropan-2-yl)hepta-1,3,5-triene-3-sulfonamide
CID 123537012
2-fluoro-5-methyl-N-propan-2-ylcyclohexa-1,3-diene-1-sulfonamide
CID 132160950
N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide
CID 146209353
(4E)-3-fluoro-2-methyl-N-propan-2-ylhexa-1,4-diene-3-sulfonamide
CID 169660508
N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073
4-methyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 68052803
(1S)-1-(1-ethylsulfonyl-2H-pyridin-4-yl)but-3-en-1-amine
CID 68566520
(1S)-1-(1-ethylsulfonyl-2H-pyridin-4-yl)propan-1-amine
CID 68567252
N-butylcyclohexa-2,4-diene-1-sulfonamide
CID 69775508
N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
CID 70913584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide (CID 163971904) is 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide is CC1=C(S(=O)(=O)NC(C)C)C=CCC1.
What is the InChIKey of 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is SQSAVSLWXHRSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-8(2)11-14(12,13)10-7-5-4-6-9(10)3/h5,7-8,11H,4,6H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 215.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 163971904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).