2-methyl-3-pentan-3-ylsulfinylpropan-1-amine

C9H21NOS — CID 81201946

IUPAC2-methyl-3-pentan-3-ylsulfinylpropan-1-amine
SMILESCCC(CC)S(=O)CC(C)CN
InChIInChI=1S/C9H21NOS/c1-4-9(5-2)12(11)7-8(3)6-10/h8-9H,4-7,10H2,1-3H3
InChIKeyRESBLNJWVRDQBI-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.52
Rot. Bonds6

About 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine

2-methyl-3-pentan-3-ylsulfinylpropan-1-amine (PubChem CID 81201946) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-pentan-3-ylsulfinylpropan-1-amine
PubChem CID81201946
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name2-methyl-3-pentan-3-ylsulfinylpropan-1-amine
SMILESCCC(CC)S(=O)CC(C)CN
InChIInChI=1S/C9H21NOS/c1-4-9(5-2)12(11)7-8(3)6-10/h8-9H,4-7,10H2,1-3H3
InChIKeyRESBLNJWVRDQBI-UHFFFAOYSA-N
XLogP1.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine?
The IUPAC name of 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine (CID 81201946) is 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine?
The canonical SMILES for 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine is CCC(CC)S(=O)CC(C)CN.
What is the InChIKey of 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine?
The InChIKey is RESBLNJWVRDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-4-9(5-2)12(11)7-8(3)6-10/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine?
2-methyl-3-pentan-3-ylsulfinylpropan-1-amine has a molecular weight of 191.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentan-3-ylsulfinylpropan-1-amine is sourced from PubChem (CID 81201946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).