4-butylsulfinyl-2,2-dimethylbutan-1-amine

C10H23NOS — CID 81329579

IUPAC4-butylsulfinyl-2,2-dimethylbutan-1-amine
SMILESCCCCS(=O)CCC(C)(C)CN
InChIInChI=1S/C10H23NOS/c1-4-5-7-13(12)8-6-10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyREGCNYLFYYRXLZ-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.91
Rot. Bonds7

About 4-butylsulfinyl-2,2-dimethylbutan-1-amine

4-butylsulfinyl-2,2-dimethylbutan-1-amine (PubChem CID 81329579) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 4-butylsulfinyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-butylsulfinyl-2,2-dimethylbutan-1-amine
PubChem CID81329579
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name4-butylsulfinyl-2,2-dimethylbutan-1-amine
SMILESCCCCS(=O)CCC(C)(C)CN
InChIInChI=1S/C10H23NOS/c1-4-5-7-13(12)8-6-10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyREGCNYLFYYRXLZ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81333066
5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81328261
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine
CID 81328173
4-butylsulfinyl-2,2-dimethylbutanenitrile
CID 65263242
1-propylsulfinylbutane
CID 564183
2,2-dimethyloctan-1-amine
CID 62739423
4-[3-(4-hydroxy-3,3-dimethylbutyl)sulfinylpropylsulfinyl]-2,2-dimethylbutan-1-ol
CID 10132076
3-(3,3-dimethylbutylsulfinyl)propan-1-amine
CID 81187092
1-heptadecylsulfinylheptadecane
CID 54059826
3-[(R)-propylsulfinyl]propan-1-amine
CID 88509307
3-propylsulfinylpropan-1-amine
CID 58684721
N-[4-[3-(4-amino-3,3-dimethylbutyl)sulfinylpropylsulfinyl]-2,2-dimethylbutyl]hydroxylamine;2-(ethylamino)acetaldehyde;N-ethylthiohydroxylamine;methane;methylsulfanylmethane
CID 142211959

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfinyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-butylsulfinyl-2,2-dimethylbutan-1-amine (CID 81329579) is 4-butylsulfinyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-butylsulfinyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-butylsulfinyl-2,2-dimethylbutan-1-amine is CCCCS(=O)CCC(C)(C)CN.
What is the InChIKey of 4-butylsulfinyl-2,2-dimethylbutan-1-amine?
The InChIKey is REGCNYLFYYRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-5-7-13(12)8-6-10(2,3)9-11/h4-9,11H2,1-3H3.
What are the key properties of 4-butylsulfinyl-2,2-dimethylbutan-1-amine?
4-butylsulfinyl-2,2-dimethylbutan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfinyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 81329579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).