1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine

C11H24N2OS — CID 81189963

IUPAC1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)CCCN1CCCC1
InChIInChI=1S/C11H24N2OS/c1-2-11(12)10-15(14)9-5-8-13-6-3-4-7-13/h11H,2-10,12H2,1H3
InChIKeySYEQQZOVCKDABU-UHFFFAOYSA-N
MW232.39 g/mol
LogP0.96
Rot. Bonds7

About 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine

1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine (PubChem CID 81189963) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
PubChem CID81189963
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)CCCN1CCCC1
InChIInChI=1S/C11H24N2OS/c1-2-11(12)10-15(14)9-5-8-13-6-3-4-7-13/h11H,2-10,12H2,1H3
InChIKeySYEQQZOVCKDABU-UHFFFAOYSA-N
XLogP0.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine
CID 107914467
6-(azepan-1-yl)hexan-3-amine
CID 106799199
6-piperidin-1-ylhexan-3-amine
CID 106799210
1-(3-methylsulfinylpropyl)pyrrolidine
CID 154648174
4-(2-aminobutylsulfinyl)-N-methylbutanamide
CID 81189749
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
1-hexylpyrrolidine;propan-2-amine
CID 166169325
1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
CID 81189513
3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid
CID 61494245
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
2-(2-aminobutylsulfinyl)-1-pyrrolidin-1-ylpropan-1-one
CID 81195968
2-(2-aminobutylsulfinyl)-1-(azepan-1-yl)propan-1-one
CID 81189041

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine (CID 81189963) is 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine is CCC(N)CS(=O)CCCN1CCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine?
The InChIKey is SYEQQZOVCKDABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-2-11(12)10-15(14)9-5-8-13-6-3-4-7-13/h11H,2-10,12H2,1H3.
What are the key properties of 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine?
1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine has a molecular weight of 232.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine is sourced from PubChem (CID 81189963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).