2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine

C12H28N2OS — CID 23261505

IUPAC2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine
SMILESCC(C)CNCCS(=O)CCNCC(C)C
InChIInChI=1S/C12H28N2OS/c1-11(2)9-13-5-7-16(15)8-6-14-10-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyLTUJTVSEKIMHPL-UHFFFAOYSA-N
MW248.44 g/mol
LogP1.23
Rot. Bonds10

About 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine

2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine (PubChem CID 23261505) has the molecular formula C12H28N2OS and a molecular weight of 248.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine
PubChem CID23261505
Molecular FormulaC12H28N2OS
Molecular Weight248.44 g/mol
Exact Mass248.19
IUPAC Name2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine
SMILESCC(C)CNCCS(=O)CCNCC(C)C
InChIInChI=1S/C12H28N2OS/c1-11(2)9-13-5-7-16(15)8-6-14-10-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyLTUJTVSEKIMHPL-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylsulfinylethyl)-3-fluoropropan-1-amine
CID 116258333
N-ethyl-3-propylsulfinylpropan-1-amine
CID 15066866
N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine
CID 20760261
N-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 43807608
2-ethylsulfinyl-N-methylpropan-1-amine
CID 54418687
2-methyl-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
CID 57671451
2-methyl-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 57992885
N-(2-ethylsulfinylethyl)-3-methylbutan-1-amine
CID 59761977
3-methyl-N-(2-methylsulfinylethyl)butan-1-amine
CID 59762235
2-methyl-N-(2-methylsulfonylethyl)propan-1-amine
CID 60711960
N-(2-tert-butylsulfanylethyl)-2-methylpropan-1-amine
CID 62576306
2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine
CID 62581186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine (CID 23261505) is 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine is CC(C)CNCCS(=O)CCNCC(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine?
The InChIKey is LTUJTVSEKIMHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2OS/c1-11(2)9-13-5-7-16(15)8-6-14-10-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine has a molecular weight of 248.44 g/mol, XLogP of 1.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine is sourced from PubChem (CID 23261505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).