1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine

C10H21NO2S — CID 167009443

IUPAC1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine
SMILESCC1CN(C)CC1CS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO2S/c1-8(2)14(12,13)7-10-6-11(4)5-9(10)3/h8-10H,5-7H2,1-4H3
InChIKeyXCNKOGLUCLRHJS-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.01
Rot. Bonds3

About 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine

1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine (PubChem CID 167009443) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine.

Molecular Properties

Compound Name1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine
PubChem CID167009443
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine
SMILESCC1CN(C)CC1CS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO2S/c1-8(2)14(12,13)7-10-6-11(4)5-9(10)3/h8-10H,5-7H2,1-4H3
InChIKeyXCNKOGLUCLRHJS-UHFFFAOYSA-N
XLogP1.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine
CID 142151955
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
1-methyl-3,4-bis(2-methylpropyl)pyrrolidine
CID 146418320
1,3-dimethyl-4-pentylpyrrolidine
CID 145095379
4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid
CID 106727543
(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine
CID 176666128
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
N-(propan-2-ylsulfonylmethyl)ethanamine
CID 117036372
(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine
CID 165476115
3-bromo-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731131
1,3,4-trimethyl-5-propylpiperidine
CID 166940604
1-(2-propan-2-ylsulfonylethyl)piperidine-3,4-dicarboxylic acid
CID 106727684

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine?
The IUPAC name of 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine (CID 167009443) is 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine.
What is the SMILES notation for 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine?
The canonical SMILES for 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine is CC1CN(C)CC1CS(=O)(=O)C(C)C.
What is the InChIKey of 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine?
The InChIKey is XCNKOGLUCLRHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)14(12,13)7-10-6-11(4)5-9(10)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine?
1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(propan-2-ylsulfonylmethyl)pyrrolidine is sourced from PubChem (CID 167009443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).