3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine

C10H22N2O2S — CID 63765660

IUPAC3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
SMILESCCCS(=O)(=O)N1CCCC1CCCN
InChIInChI=1S/C10H22N2O2S/c1-2-9-15(13,14)12-8-4-6-10(12)5-3-7-11/h10H,2-9,11H2,1H3
InChIKeyZRNSMXSOMCBGAX-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.93
Rot. Bonds6

About 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine

3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine (PubChem CID 63765660) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
PubChem CID63765660
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
SMILESCCCS(=O)(=O)N1CCCC1CCCN
InChIInChI=1S/C10H22N2O2S/c1-2-9-15(13,14)12-8-4-6-10(12)5-3-7-11/h10H,2-9,11H2,1H3
InChIKeyZRNSMXSOMCBGAX-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
1-nonylsulfonyl-2-undecylpyrrolidine
CID 59852635
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
CID 63767385
N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
CID 64591583
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
CID 63762474

Frequently Asked Questions

What is the IUPAC name of 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine?
The IUPAC name of 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine (CID 63765660) is 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine is CCCS(=O)(=O)N1CCCC1CCCN.
What is the InChIKey of 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine?
The InChIKey is ZRNSMXSOMCBGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-9-15(13,14)12-8-4-6-10(12)5-3-7-11/h10H,2-9,11H2,1H3.
What are the key properties of 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine?
3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine has a molecular weight of 234.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine is sourced from PubChem (CID 63765660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).