4-butan-2-ylsulfinyl-N-propylpentan-2-amine

C12H27NOS — CID 64704206

IUPAC4-butan-2-ylsulfinyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)C(C)CC
InChIInChI=1S/C12H27NOS/c1-6-8-13-10(3)9-12(5)15(14)11(4)7-2/h10-13H,6-9H2,1-5H3
InChIKeyNWOPKIUKIAMLDC-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.70
Rot. Bonds8

About 4-butan-2-ylsulfinyl-N-propylpentan-2-amine

4-butan-2-ylsulfinyl-N-propylpentan-2-amine (PubChem CID 64704206) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 4-butan-2-ylsulfinyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfinyl-N-propylpentan-2-amine
PubChem CID64704206
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name4-butan-2-ylsulfinyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)C(C)CC
InChIInChI=1S/C12H27NOS/c1-6-8-13-10(3)9-12(5)15(14)11(4)7-2/h10-13H,6-9H2,1-5H3
InChIKeyNWOPKIUKIAMLDC-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfinyl-N-propylpentan-2-amine?
The IUPAC name of 4-butan-2-ylsulfinyl-N-propylpentan-2-amine (CID 64704206) is 4-butan-2-ylsulfinyl-N-propylpentan-2-amine.
What is the SMILES notation for 4-butan-2-ylsulfinyl-N-propylpentan-2-amine?
The canonical SMILES for 4-butan-2-ylsulfinyl-N-propylpentan-2-amine is CCCNC(C)CC(C)S(=O)C(C)CC.
What is the InChIKey of 4-butan-2-ylsulfinyl-N-propylpentan-2-amine?
The InChIKey is NWOPKIUKIAMLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-6-8-13-10(3)9-12(5)15(14)11(4)7-2/h10-13H,6-9H2,1-5H3.
What are the key properties of 4-butan-2-ylsulfinyl-N-propylpentan-2-amine?
4-butan-2-ylsulfinyl-N-propylpentan-2-amine has a molecular weight of 233.42 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfinyl-N-propylpentan-2-amine is sourced from PubChem (CID 64704206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).