4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine

C17H26N2O2S — CID 110616587

IUPAC4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine
SMILESCC1CN(S(=O)(=O)C2CCCC2)CC(C)N1c1ccccc1
InChIInChI=1S/C17H26N2O2S/c1-14-12-18(22(20,21)17-10-6-7-11-17)13-15(2)19(14)16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3
InChIKeySBWDTNSINCZNBW-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.86
Rot. Bonds3

About 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine

4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine (PubChem CID 110616587) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine
PubChem CID110616587
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine
SMILESCC1CN(S(=O)(=O)C2CCCC2)CC(C)N1c1ccccc1
InChIInChI=1S/C17H26N2O2S/c1-14-12-18(22(20,21)17-10-6-7-11-17)13-15(2)19(14)16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3
InChIKeySBWDTNSINCZNBW-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110602284
cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone
CID 110413099
4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110413210
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293
4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110616538
2-cyclopropylsulfonyl-1,3-dihydroisoindole
CID 122244979
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate
CID 146024173
3-(benzenesulfonyl)-1-(3,5-dimethyl-4-phenylpiperazin-1-yl)propan-1-one
CID 110616578
1-cyclopentylsulfonylazetidin-3-amine
CID 105361409
N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide
CID 110707722
4-benzylsulfonyl-1,2-dimethylpiperazine
CID 110707686

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine?
The IUPAC name of 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine (CID 110616587) is 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine.
What is the SMILES notation for 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine?
The canonical SMILES for 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine is CC1CN(S(=O)(=O)C2CCCC2)CC(C)N1c1ccccc1.
What is the InChIKey of 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine?
The InChIKey is SBWDTNSINCZNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14-12-18(22(20,21)17-10-6-7-11-17)13-15(2)19(14)16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3.
What are the key properties of 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine?
4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine has a molecular weight of 322.47 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine is sourced from PubChem (CID 110616587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).