3-butylsulfinyl-2-methylpropan-1-amine

C8H19NOS — CID 81200794

IUPAC3-butylsulfinyl-2-methylpropan-1-amine
SMILESCCCCS(=O)CC(C)CN
InChIInChI=1S/C8H19NOS/c1-3-4-5-11(10)7-8(2)6-9/h8H,3-7,9H2,1-2H3
InChIKeyOFSGSVMISDWWDW-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.13
Rot. Bonds6

About 3-butylsulfinyl-2-methylpropan-1-amine

3-butylsulfinyl-2-methylpropan-1-amine (PubChem CID 81200794) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 3-butylsulfinyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-butylsulfinyl-2-methylpropan-1-amine
PubChem CID81200794
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name3-butylsulfinyl-2-methylpropan-1-amine
SMILESCCCCS(=O)CC(C)CN
InChIInChI=1S/C8H19NOS/c1-3-4-5-11(10)7-8(2)6-9/h8H,3-7,9H2,1-2H3
InChIKeyOFSGSVMISDWWDW-UHFFFAOYSA-N
XLogP1.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-amino-2-methylpropyl)sulfinylbutanenitrile
CID 81201564
2-methyl-3-(3-phenylpropylsulfinyl)propan-1-amine
CID 81201119
3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine
CID 81201842
2-methyl-3-[2-(trifluoromethoxy)ethylsulfinyl]propan-1-amine
CID 81202273
3-(methoxymethylsulfinyl)-2-methylpropan-1-amine
CID 81202164
1-butylsulfinyl-3-methoxypropan-2-amine
CID 107508808
(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol
CID 98534105
1-propylsulfinylbutane
CID 564183
2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
CID 81201708
3-amino-2-methylpropane-1-sulfinic acid
CID 55285402
2-methyl-3-pentan-3-ylsulfinylpropan-1-amine
CID 81201946
1-butylsulfinyl-N-ethylbutan-2-amine
CID 64651265

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfinyl-2-methylpropan-1-amine?
The IUPAC name of 3-butylsulfinyl-2-methylpropan-1-amine (CID 81200794) is 3-butylsulfinyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-butylsulfinyl-2-methylpropan-1-amine?
The canonical SMILES for 3-butylsulfinyl-2-methylpropan-1-amine is CCCCS(=O)CC(C)CN.
What is the InChIKey of 3-butylsulfinyl-2-methylpropan-1-amine?
The InChIKey is OFSGSVMISDWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-4-5-11(10)7-8(2)6-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 3-butylsulfinyl-2-methylpropan-1-amine?
3-butylsulfinyl-2-methylpropan-1-amine has a molecular weight of 177.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfinyl-2-methylpropan-1-amine is sourced from PubChem (CID 81200794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).