1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine

C17H26N2O2S — CID 110708837

IUPAC1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C3CC3)CC2)c(C)c1
InChIInChI=1S/C17H26N2O2S/c1-13-4-7-17(14(2)12-13)22(20,21)19-10-8-18(9-11-19)15(3)16-5-6-16/h4,7,12,15-16H,5-6,8-11H2,1-3H3
InChIKeyOLOYVCQYYBZWPN-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.41
Rot. Bonds4

About 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine

1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine (PubChem CID 110708837) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
PubChem CID110708837
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C3CC3)CC2)c(C)c1
InChIInChI=1S/C17H26N2O2S/c1-13-4-7-17(14(2)12-13)22(20,21)19-10-8-18(9-11-19)15(3)16-5-6-16/h4,7,12,15-16H,5-6,8-11H2,1-3H3
InChIKeyOLOYVCQYYBZWPN-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590279
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
1-(2,4-dimethylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 18097099
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24680007
(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9038052
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8787917
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721448

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine (CID 110708837) is 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C(C)C3CC3)CC2)c(C)c1.
What is the InChIKey of 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
The InChIKey is OLOYVCQYYBZWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-4-7-17(14(2)12-13)22(20,21)19-10-8-18(9-11-19)15(3)16-5-6-16/h4,7,12,15-16H,5-6,8-11H2,1-3H3.
What are the key properties of 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine?
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine has a molecular weight of 322.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110708837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).