3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride

C9H18ClNO2S — CID 102548986

IUPAC3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
SMILESCC1CCCCN1CCCS(=O)(=O)Cl
InChIInChI=1S/C9H18ClNO2S/c1-9-5-2-3-6-11(9)7-4-8-14(10,12)13/h9H,2-8H2,1H3
InChIKeyYFEQERVJVRMSKH-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.82
Rot. Bonds4

About 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride

3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride (PubChem CID 102548986) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
PubChem CID102548986
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
SMILESCC1CCCCN1CCCS(=O)(=O)Cl
InChIInChI=1S/C9H18ClNO2S/c1-9-5-2-3-6-11(9)7-4-8-14(10,12)13/h9H,2-8H2,1H3
InChIKeyYFEQERVJVRMSKH-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 107650620
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride
CID 112594724
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
2-methyl-1-pentylazepane
CID 134994557
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
CID 64631728
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride (CID 102548986) is 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride is CC1CCCCN1CCCS(=O)(=O)Cl.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride?
The InChIKey is YFEQERVJVRMSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-9-5-2-3-6-11(9)7-4-8-14(10,12)13/h9H,2-8H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride?
3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride has a molecular weight of 239.77 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 102548986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).