4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine

C10H18ClNO3S — CID 63396670

IUPAC4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCO1)N1CCC(Cl)CC1
InChIInChI=1S/C10H18ClNO3S/c11-9-3-5-12(6-4-9)16(13,14)8-10-2-1-7-15-10/h9-10H,1-8H2
InChIKeyPVVWOWGGAATQRE-UHFFFAOYSA-N
MW267.78 g/mol
LogP1.20
Rot. Bonds3

About 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine

4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine (PubChem CID 63396670) has the molecular formula C10H18ClNO3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine
PubChem CID63396670
Molecular FormulaC10H18ClNO3S
Molecular Weight267.78 g/mol
Exact Mass267.07
IUPAC Name4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCO1)N1CCC(Cl)CC1
InChIInChI=1S/C10H18ClNO3S/c11-9-3-5-12(6-4-9)16(13,14)8-10-2-1-7-15-10/h9-10H,1-8H2
InChIKeyPVVWOWGGAATQRE-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidine
CID 97982598
1-(3-Chloropropylsulfonyl)-4-methoxypiperidine
CID 43653849
1-(3-Chloropropylsulfonyl)-4-(2-ethoxyethoxy)piperidine
CID 54877243
1-(3-Chloropropylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine
CID 54877377
3-(2-Chloroethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55185756
2-(Chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55186126
1-(2-Chloroethyl)-4-(oxolan-2-ylmethylsulfonyl)piperazine
CID 55186884
N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55187073
2-(2-Chloroethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55187458
N-(2-chloroethyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 55187831
1-(3-Chloropropylsulfonyl)-3-propoxypiperidine
CID 61169375
1-(3-Chloropropylsulfonyl)-4-ethoxypiperidine
CID 61216342

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine (CID 63396670) is 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine is O=S(=O)(CC1CCCO1)N1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The InChIKey is PVVWOWGGAATQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3S/c11-9-3-5-12(6-4-9)16(13,14)8-10-2-1-7-15-10/h9-10H,1-8H2.
What are the key properties of 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine?
4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine has a molecular weight of 267.78 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 63396670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).