5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine

C10H23NO2S — CID 81328261

IUPAC5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine
SMILESCOCCS(=O)CCCC(C)(C)CN
InChIInChI=1S/C10H23NO2S/c1-10(2,9-11)5-4-7-14(12)8-6-13-3/h4-9,11H2,1-3H3
InChIKeyMLANNMWEDTXJFA-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.15
Rot. Bonds8

About 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine

5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine (PubChem CID 81328261) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine
PubChem CID81328261
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine
SMILESCOCCS(=O)CCCC(C)(C)CN
InChIInChI=1S/C10H23NO2S/c1-10(2,9-11)5-4-7-14(12)8-6-13-3/h4-9,11H2,1-3H3
InChIKeyMLANNMWEDTXJFA-UHFFFAOYSA-N
XLogP1.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81333066
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine
CID 81328173
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
4-butylsulfinyl-2,2-dimethylbutan-1-amine
CID 81329579
2-(4-methoxybutylsulfinyl)ethanamine
CID 104650978
5-(3-methoxypropylsulfinyl)-2,2-dimethylpentanenitrile
CID 65263137
4-(2-methoxyethylsulfinyl)-2,2-dimethylbutanenitrile
CID 65263141
N',N'-bis(2-methoxyethyl)-2,2-dimethylhexane-1,6-diamine
CID 106707937
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
N-(2-methoxyethyl)-3-(2-methoxyethylsulfinyl)propan-1-amine
CID 64652701
6-[3-(6-hydroxy-4,4-dimethylhexyl)sulfinylpropylsulfinyl]-3,3-dimethylhexan-1-ol
CID 18752634
4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine
CID 65249124

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine (CID 81328261) is 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine is COCCS(=O)CCCC(C)(C)CN.
What is the InChIKey of 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine?
The InChIKey is MLANNMWEDTXJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-10(2,9-11)5-4-7-14(12)8-6-13-3/h4-9,11H2,1-3H3.
What are the key properties of 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine?
5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 81328261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).