N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide

C14H23NO2S — CID 110784198

IUPACN-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H23NO2S/c1-5-8-18(16,17)15-10-14-9-13(11(2)3)7-6-12(14)4/h6-7,9,11,15H,5,8,10H2,1-4H3
InChIKeyCDYSUPSAVCPTTE-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.95
Rot. Bonds6

About N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide

N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide (PubChem CID 110784198) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide
PubChem CID110784198
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H23NO2S/c1-5-8-18(16,17)15-10-14-9-13(11(2)3)7-6-12(14)4/h6-7,9,11,15H,5,8,10H2,1-4H3
InChIKeyCDYSUPSAVCPTTE-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
CID 110789542
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206474
N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide
CID 110787171
N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide
CID 110783047
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175661
N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115197860
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
2-(2-methyl-5-propan-2-ylphenyl)acetaldehyde
CID 87494149
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115186987
2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115188310

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide (CID 110784198) is N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cc(C(C)C)ccc1C.
What is the InChIKey of N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide?
The InChIKey is CDYSUPSAVCPTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-8-18(16,17)15-10-14-9-13(11(2)3)7-6-12(14)4/h6-7,9,11,15H,5,8,10H2,1-4H3.
What are the key properties of N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide?
N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide has a molecular weight of 269.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 110784198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).