3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine

C10H18ClNO3S — CID 63400894

IUPAC3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
SMILESO=S(=O)(CC1CCCO1)N1CCC(CCl)C1
InChIInChI=1S/C10H18ClNO3S/c11-6-9-3-4-12(7-9)16(13,14)8-10-2-1-5-15-10/h9-10H,1-8H2
InChIKeyPTFRJLNIUAPXJL-UHFFFAOYSA-N
MW267.78 g/mol
LogP1.06
Rot. Bonds4

About 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine

3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine (PubChem CID 63400894) has the molecular formula C10H18ClNO3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
PubChem CID63400894
Molecular FormulaC10H18ClNO3S
Molecular Weight267.78 g/mol
Exact Mass267.07
IUPAC Name3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
SMILESO=S(=O)(CC1CCCO1)N1CCC(CCl)C1
InChIInChI=1S/C10H18ClNO3S/c11-6-9-3-4-12(7-9)16(13,14)8-10-2-1-5-15-10/h9-10H,1-8H2
InChIKeyPTFRJLNIUAPXJL-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 51.06
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-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
2-[1-(oxolan-2-ylmethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617242
2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
CID 102938021
2-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813775
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
3-methyl-1-(oxan-2-ylmethylsulfonyl)piperidin-4-amine
CID 119983951

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine (CID 63400894) is 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine is O=S(=O)(CC1CCCO1)N1CCC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine?
The InChIKey is PTFRJLNIUAPXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3S/c11-6-9-3-4-12(7-9)16(13,14)8-10-2-1-5-15-10/h9-10H,1-8H2.
What are the key properties of 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine?
3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine has a molecular weight of 267.78 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine is sourced from PubChem (CID 63400894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).