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

C10H23NOS — CID 64651632

IUPAC2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine
SMILESCC(C)CS(=O)CCNC(C)(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)8-13(12)7-6-11-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyJTYFDBCXEGUFBS-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.78
Rot. Bonds5

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

2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine (PubChem CID 64651632) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine
PubChem CID64651632
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine
SMILESCC(C)CS(=O)CCNC(C)(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)8-13(12)7-6-11-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyJTYFDBCXEGUFBS-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine
CID 64652249
N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine
CID 64652936
3-(2-methylpropylsulfinyl)-N-propan-2-ylpropan-1-amine
CID 64650831
2-(2-methylpropylsulfinyl)ethanamine
CID 58684339
2,2-dimethyl-5-(2-methylpropylsulfinyl)pentanenitrile
CID 65263089
N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine
CID 107446156
N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107759940
1-(tert-butylamino)-5-methylhexan-3-one
CID 116557850
copper;N,N'-ditert-butylethane-1,2-diamine;dibromide
CID 160892423
N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine
CID 122700767
N-tert-butyl-4-(3-methylbutylsulfanyl)butan-1-amine
CID 107757723
1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol
CID 115477034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine (CID 64651632) is 2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine is CC(C)CS(=O)CCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine?
The InChIKey is JTYFDBCXEGUFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(2)8-13(12)7-6-11-10(3,4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine?
2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine is sourced from PubChem (CID 64651632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).