1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine

C10H20N2O2S — CID 103976089

IUPAC1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C10H20N2O2S/c1-8(11)10-4-5-12(6-10)15(13,14)7-9-2-3-9/h8-10H,2-7,11H2,1H3
InChIKeySIDCKAYOGAUYME-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.40
Rot. Bonds4

About 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine

1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine (PubChem CID 103976089) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
PubChem CID103976089
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C10H20N2O2S/c1-8(11)10-4-5-12(6-10)15(13,14)7-9-2-3-9/h8-10H,2-7,11H2,1H3
InChIKeySIDCKAYOGAUYME-UHFFFAOYSA-N
XLogP0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976134
1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
CID 63853138
1-[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975462
3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine
CID 102962630
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 64987457
1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 119974695
1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine
CID 119974611
3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114816244
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
methyl 2-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 103976029

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine (CID 103976089) is 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(S(=O)(=O)CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is SIDCKAYOGAUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(11)10-4-5-12(6-10)15(13,14)7-9-2-3-9/h8-10H,2-7,11H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine?
1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).