6-butan-2-ylsulfinylhexan-3-amine

C10H23NOS — CID 106807943

IUPAC6-butan-2-ylsulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)C(C)CC
InChIInChI=1S/C10H23NOS/c1-4-9(3)13(12)8-6-7-10(11)5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyRQANSFNJDWFLQD-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.05
Rot. Bonds7

About 6-butan-2-ylsulfinylhexan-3-amine

6-butan-2-ylsulfinylhexan-3-amine (PubChem CID 106807943) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 6-butan-2-ylsulfinylhexan-3-amine.

Molecular Properties

Compound Name6-butan-2-ylsulfinylhexan-3-amine
PubChem CID106807943
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name6-butan-2-ylsulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)C(C)CC
InChIInChI=1S/C10H23NOS/c1-4-9(3)13(12)8-6-7-10(11)5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyRQANSFNJDWFLQD-UHFFFAOYSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-ylsulfinylpropan-1-amine
CID 58684272
5-butan-2-ylsulfinyl-N-methylpentan-2-amine
CID 64660321
3-butan-2-ylsulfinyl-N-methylpropan-1-amine
CID 64652102
3-butan-2-ylsulfinyl-N-ethylpropan-1-amine
CID 64651704
2-heptylsulfinylpropan-1-amine
CID 81186656
2-nonylsulfinylpropan-1-amine
CID 81187131
6-benzylsulfinylhexan-3-amine
CID 106807939
tridecan-3-amine
CID 19435959
1-butan-2-ylsulfinyl-3-methoxypropan-2-amine
CID 107508747
2-pentylsulfinylpropan-1-amine
CID 81186667
4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one
CID 64638253
hexane-1,4-diamine;hydrochloride
CID 118144198

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylsulfinylhexan-3-amine?
The IUPAC name of 6-butan-2-ylsulfinylhexan-3-amine (CID 106807943) is 6-butan-2-ylsulfinylhexan-3-amine.
What is the SMILES notation for 6-butan-2-ylsulfinylhexan-3-amine?
The canonical SMILES for 6-butan-2-ylsulfinylhexan-3-amine is CCC(N)CCCS(=O)C(C)CC.
What is the InChIKey of 6-butan-2-ylsulfinylhexan-3-amine?
The InChIKey is RQANSFNJDWFLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-9(3)13(12)8-6-7-10(11)5-2/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 6-butan-2-ylsulfinylhexan-3-amine?
6-butan-2-ylsulfinylhexan-3-amine has a molecular weight of 205.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylsulfinylhexan-3-amine is sourced from PubChem (CID 106807943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).