[1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol

C7H14ClNO3S — CID 130978989

IUPAC[1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CCN(S(=O)(=O)CCl)C1
InChIInChI=1S/C7H14ClNO3S/c1-7(5-10)2-3-9(4-7)13(11,12)6-8/h10H,2-6H2,1H3
InChIKeyKVQFJLOWGSTFDN-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.22
Rot. Bonds3

About [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol

[1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol (PubChem CID 130978989) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
PubChem CID130978989
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name[1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CCN(S(=O)(=O)CCl)C1
InChIInChI=1S/C7H14ClNO3S/c1-7(5-10)2-3-9(4-7)13(11,12)6-8/h10H,2-6H2,1H3
InChIKeyKVQFJLOWGSTFDN-UHFFFAOYSA-N
XLogP0.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.22
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-methyl-1-methylsulfonylpiperidin-4-yl)methanol
CID 58959839
1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
CID 130640047
1-(chloromethylsulfonyl)-4,4-diethylpiperidine
CID 63663969
1-(chloromethylsulfonyl)-3,3-dimethylazetidine
CID 130649715
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
[3-tert-butyl-1-[(1,3-dimethylcyclobutyl)methylsulfonyl]pyrrolidin-3-yl]methanol
CID 166282402
1-(2-chloroethylsulfonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321277
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777128
[1-(chloromethylsulfonyl)piperidin-4-yl]methanol
CID 63664501
1-(chloromethylsulfonyl)-4-methyl-1,4-diazepane
CID 63664100

Frequently Asked Questions

What is the IUPAC name of [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol (CID 130978989) is [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol is CC1(CO)CCN(S(=O)(=O)CCl)C1.
What is the InChIKey of [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol?
The InChIKey is KVQFJLOWGSTFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-7(5-10)2-3-9(4-7)13(11,12)6-8/h10H,2-6H2,1H3.
What are the key properties of [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol?
[1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol has a molecular weight of 227.71 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 130978989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).