4-methoxypiperidine-1-sulfonyl chloride

C6H12ClNO3S — CID 22276816

IUPAC4-methoxypiperidine-1-sulfonyl chloride
SMILESCOC1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H12ClNO3S/c1-11-6-2-4-8(5-3-6)12(7,9)10/h6H,2-5H2,1H3
InChIKeyQQHWNEIDFLVBBS-UHFFFAOYSA-N
MW213.69 g/mol
LogP0.58
Rot. Bonds2

About 4-methoxypiperidine-1-sulfonyl chloride

4-methoxypiperidine-1-sulfonyl chloride (PubChem CID 22276816) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 4-methoxypiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-methoxypiperidine-1-sulfonyl chloride
PubChem CID22276816
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name4-methoxypiperidine-1-sulfonyl chloride
SMILESCOC1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H12ClNO3S/c1-11-6-2-4-8(5-3-6)12(7,9)10/h6H,2-5H2,1H3
InChIKeyQQHWNEIDFLVBBS-UHFFFAOYSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
carbamoyl 4-methoxypiperidine-1-sulfonate
CID 174915158
4-tert-butylpiperidine-1-sulfonyl chloride
CID 62089689
(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 72892231
1-fluoro-4-methoxypiperidine
CID 154266449
2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
CID 103531325
3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
CID 103532634
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113
2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline
CID 62143268
1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43373233
4-methoxycycloheptane-1-sulfonyl chloride
CID 165446786
ethane;4-methoxy-1-sulfanylpiperidine
CID 171098636

Frequently Asked Questions

What is the IUPAC name of 4-methoxypiperidine-1-sulfonyl chloride?
The IUPAC name of 4-methoxypiperidine-1-sulfonyl chloride (CID 22276816) is 4-methoxypiperidine-1-sulfonyl chloride.
What is the SMILES notation for 4-methoxypiperidine-1-sulfonyl chloride?
The canonical SMILES for 4-methoxypiperidine-1-sulfonyl chloride is COC1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-methoxypiperidine-1-sulfonyl chloride?
The InChIKey is QQHWNEIDFLVBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c1-11-6-2-4-8(5-3-6)12(7,9)10/h6H,2-5H2,1H3.
What are the key properties of 4-methoxypiperidine-1-sulfonyl chloride?
4-methoxypiperidine-1-sulfonyl chloride has a molecular weight of 213.69 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypiperidine-1-sulfonyl chloride is sourced from PubChem (CID 22276816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).