1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol

C13H21ClN2O3S2 — CID 103100214

IUPAC1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCc1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)sc1Cl
InChIInChI=1S/C13H21ClN2O3S2/c1-10-8-11(20-12(10)14)21(18,19)16-6-4-15(5-7-16)9-13(2,3)17/h8,17H,4-7,9H2,1-3H3
InChIKeyHFJQRZHLSILSNK-UHFFFAOYSA-N
MW352.91 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol

1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 103100214) has the molecular formula C13H21ClN2O3S2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
PubChem CID103100214
Molecular FormulaC13H21ClN2O3S2
Molecular Weight352.91 g/mol
Exact Mass352.07
IUPAC Name1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCc1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)sc1Cl
InChIInChI=1S/C13H21ClN2O3S2/c1-10-8-11(20-12(10)14)21(18,19)16-6-4-15(5-7-16)9-13(2,3)17/h8,17H,4-7,9H2,1-3H3
InChIKeyHFJQRZHLSILSNK-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroethyl)-4-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,4-diazepane
CID 103100697
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 63237331
2-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 103099962
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120707091
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
CID 103100198
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126770684
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol
CID 103100234
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162654
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
CID 103100544
5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 103100248

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol (CID 103100214) is 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol is Cc1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)sc1Cl.
What is the InChIKey of 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is HFJQRZHLSILSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S2/c1-10-8-11(20-12(10)14)21(18,19)16-6-4-15(5-7-16)9-13(2,3)17/h8,17H,4-7,9H2,1-3H3.
What are the key properties of 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 352.91 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 103100214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).