4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine

C10H22N2O2S — CID 106728081

IUPAC4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
SMILESCCCS(=O)(=O)CCN1CC(C)C(N)C1
InChIInChI=1S/C10H22N2O2S/c1-3-5-15(13,14)6-4-12-7-9(2)10(11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyBFQQVHXHUYFRLP-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.09
Rot. Bonds5

About 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine

4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine (PubChem CID 106728081) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
PubChem CID106728081
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
SMILESCCCS(=O)(=O)CCN1CC(C)C(N)C1
InChIInChI=1S/C10H22N2O2S/c1-3-5-15(13,14)6-4-12-7-9(2)10(11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyBFQQVHXHUYFRLP-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine
CID 106731403
3-bromo-4-methyl-1-(2-propylsulfonylethyl)piperidine
CID 106731474
3-bromo-1-(2-propylsulfonylethyl)pyrrolidine
CID 106731132
N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
CID 106725369
3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 120585460
1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
CID 106731159
1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine
CID 103575497
4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol
CID 106729226
1-propylsulfonylpropane
CID 11709
3-[4-(2-propylsulfonylethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 106722626
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine (CID 106728081) is 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine is CCCS(=O)(=O)CCN1CC(C)C(N)C1.
What is the InChIKey of 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine?
The InChIKey is BFQQVHXHUYFRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-5-15(13,14)6-4-12-7-9(2)10(11)8-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine?
4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine has a molecular weight of 234.36 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 106728081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).