3-butan-2-ylsulfinylpropan-1-amine

C7H17NOS — CID 58684272

IUPAC3-butan-2-ylsulfinylpropan-1-amine
SMILESCCC(C)S(=O)CCCN
InChIInChI=1S/C7H17NOS/c1-3-7(2)10(9)6-4-5-8/h7H,3-6,8H2,1-2H3
InChIKeyQGMMAKIKXIPBSA-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.88
Rot. Bonds5

About 3-butan-2-ylsulfinylpropan-1-amine

3-butan-2-ylsulfinylpropan-1-amine (PubChem CID 58684272) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 3-butan-2-ylsulfinylpropan-1-amine.

Molecular Properties

Compound Name3-butan-2-ylsulfinylpropan-1-amine
PubChem CID58684272
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name3-butan-2-ylsulfinylpropan-1-amine
SMILESCCC(C)S(=O)CCCN
InChIInChI=1S/C7H17NOS/c1-3-7(2)10(9)6-4-5-8/h7H,3-6,8H2,1-2H3
InChIKeyQGMMAKIKXIPBSA-UHFFFAOYSA-N
XLogP0.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-ylsulfinylhexan-3-amine
CID 106807943
3-butan-2-ylsulfinyl-N-methylpropan-1-amine
CID 64652102
3-butan-2-ylsulfinyl-N-ethylpropan-1-amine
CID 64651704
2-pentylsulfinylpropan-1-amine
CID 81186667
5-butan-2-ylsulfinyl-N-methylpentan-2-amine
CID 64660321
2-heptylsulfinylpropan-1-amine
CID 81186656
2-nonylsulfinylpropan-1-amine
CID 81187131
N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide
CID 81328932
2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine
CID 81186331
3-(3-methoxypropylsulfinyl)butan-1-amine
CID 81193382
2-[1-(butan-2-ylsulfinylmethyl)cyclopropyl]ethanamine
CID 81328322
N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine
CID 64652936

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfinylpropan-1-amine?
The IUPAC name of 3-butan-2-ylsulfinylpropan-1-amine (CID 58684272) is 3-butan-2-ylsulfinylpropan-1-amine.
What is the SMILES notation for 3-butan-2-ylsulfinylpropan-1-amine?
The canonical SMILES for 3-butan-2-ylsulfinylpropan-1-amine is CCC(C)S(=O)CCCN.
What is the InChIKey of 3-butan-2-ylsulfinylpropan-1-amine?
The InChIKey is QGMMAKIKXIPBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-3-7(2)10(9)6-4-5-8/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-butan-2-ylsulfinylpropan-1-amine?
3-butan-2-ylsulfinylpropan-1-amine has a molecular weight of 163.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfinylpropan-1-amine is sourced from PubChem (CID 58684272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).