1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol

C10H20ClNO3S — CID 81109294

IUPAC1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC(CCl)CS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C10H20ClNO3S/c1-9(7-11)8-16(14,15)12-5-3-10(2,13)4-6-12/h9,13H,3-8H2,1-2H3
InChIKeyLGEGMGKTNALQGR-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.04
Rot. Bonds4

About 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol

1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81109294) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81109294
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC(CCl)CS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C10H20ClNO3S/c1-9(7-11)8-16(14,15)12-5-3-10(2,13)4-6-12/h9,13H,3-8H2,1-2H3
InChIKeyLGEGMGKTNALQGR-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol
CID 164636611
1-(4-Chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 91650308
1-(3-Chloropropylsulfonyl)-4-methylpiperidine
CID 28704619
4-Propan-2-yl-1-propan-2-ylsulfonylpiperidin-4-ol
CID 178502764
[1-(3-Chloropropylsulfonyl)piperidin-4-yl]methanol
CID 43654411
1-(3-Chloropropylsulfonyl)-4-ethylpiperidine
CID 60958596
1-(1-Chloropropan-2-ylsulfonyl)-4-methylpiperidine
CID 65746910
1-(1-Chloropropan-2-ylsulfonyl)-4-ethylpiperidine
CID 65761231
1-(3-Chloro-2-methylpropyl)sulfonylpiperidin-4-ol
CID 79579788
1-(3-Chloro-2-methylpropyl)sulfonyl-4-methylpiperidine
CID 79580810
[1-(3-Chloro-2-methylpropyl)sulfonylpiperidin-4-yl]methanol
CID 79585104
1-(3-Chloro-2-methylpropyl)sulfonyl-4-ethylpiperidine
CID 79585659

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol (CID 81109294) is 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol is CC(CCl)CS(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is LGEGMGKTNALQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-9(7-11)8-16(14,15)12-5-3-10(2,13)4-6-12/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol?
1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 269.79 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81109294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).