N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine

C9H21NOS — CID 64652249

IUPACN-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine
SMILESCC(C)CS(=O)CCNC(C)C
InChIInChI=1S/C9H21NOS/c1-8(2)7-12(11)6-5-10-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyYOOUYRRHVXJCDW-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.39
Rot. Bonds6

About N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine

N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine (PubChem CID 64652249) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine
PubChem CID64652249
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC NameN-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine
SMILESCC(C)CS(=O)CCNC(C)C
InChIInChI=1S/C9H21NOS/c1-8(2)7-12(11)6-5-10-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyYOOUYRRHVXJCDW-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine (CID 64652249) is N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine is CC(C)CS(=O)CCNC(C)C.
What is the InChIKey of N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine?
The InChIKey is YOOUYRRHVXJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-8(2)7-12(11)6-5-10-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine?
N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine has a molecular weight of 191.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine is sourced from PubChem (CID 64652249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).