1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine

C17H26N2O3S — CID 110708727

IUPAC1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(CC3CC3)CC2)c(C)c1
InChIInChI=1S/C17H26N2O3S/c1-13-10-16(22-3)11-14(2)17(13)23(20,21)19-8-6-18(7-9-19)12-15-4-5-15/h10-11,15H,4-9,12H2,1-3H3
InChIKeyKJKBNSFHNYBQHX-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.03
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine

1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine (PubChem CID 110708727) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
PubChem CID110708727
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(CC3CC3)CC2)c(C)c1
InChIInChI=1S/C17H26N2O3S/c1-13-10-16(22-3)11-14(2)17(13)23(20,21)19-8-6-18(7-9-19)12-15-4-5-15/h10-11,15H,4-9,12H2,1-3H3
InChIKeyKJKBNSFHNYBQHX-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978472
1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708600
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
CID 102749830
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-3-methylaniline
CID 61116607
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
3-(dimethylamino)-1-[4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603406
1-[2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethylsulfonyl]-4-(2-pyrrolidin-1-ylethyl)piperidine
CID 46204352
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81209194

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine (CID 110708727) is 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine is COc1cc(C)c(S(=O)(=O)N2CCN(CC3CC3)CC2)c(C)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine?
The InChIKey is KJKBNSFHNYBQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-10-16(22-3)11-14(2)17(13)23(20,21)19-8-6-18(7-9-19)12-15-4-5-15/h10-11,15H,4-9,12H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine?
1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine has a molecular weight of 338.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110708727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).