1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine

C10H22N2OS — CID 107914467

IUPAC1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)CCN1CCCC1
InChIInChI=1S/C10H22N2OS/c1-2-10(11)9-14(13)8-7-12-5-3-4-6-12/h10H,2-9,11H2,1H3
InChIKeyIHRNHQWWHDROHA-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.57
Rot. Bonds6

About 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine

1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine (PubChem CID 107914467) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine
PubChem CID107914467
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)CCN1CCCC1
InChIInChI=1S/C10H22N2OS/c1-2-10(11)9-14(13)8-7-12-5-3-4-6-12/h10H,2-9,11H2,1H3
InChIKeyIHRNHQWWHDROHA-UHFFFAOYSA-N
XLogP0.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
CID 81189963
6-(azepan-1-yl)hexan-3-amine
CID 106799199
6-piperidin-1-ylhexan-3-amine
CID 106799210
2-(2-aminobutylsulfinyl)-1-pyrrolidin-1-ylpropan-1-one
CID 81195968
2-(2-aminobutylsulfinyl)-1-(azepan-1-yl)propan-1-one
CID 81189041
1-(2-methylsulfinylethyl)piperidine
CID 66695248
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
CID 81189513
4-(2-aminobutylsulfinyl)-N-methylbutanamide
CID 81189749
3-methyl-2-(2-pyrrolidin-1-ylethylsulfinyl)butanoic acid
CID 107913267
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
2-piperidin-1-ylethanesulfinic acid
CID 59286125

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine?
The IUPAC name of 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine (CID 107914467) is 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine is CCC(N)CS(=O)CCN1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine?
The InChIKey is IHRNHQWWHDROHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-2-10(11)9-14(13)8-7-12-5-3-4-6-12/h10H,2-9,11H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine?
1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine has a molecular weight of 218.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine is sourced from PubChem (CID 107914467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).