2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine

C10H23NO3S2 — CID 81328173

IUPAC2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine
SMILESCC(C)(CN)CCCS(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S2/c1-10(2,9-11)5-4-6-15(12)7-8-16(3,13)14/h4-9,11H2,1-3H3
InChIKeyNASKBAPPZAATDE-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.54
Rot. Bonds8

About 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine

2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine (PubChem CID 81328173) has the molecular formula C10H23NO3S2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine
PubChem CID81328173
Molecular FormulaC10H23NO3S2
Molecular Weight269.43 g/mol
Exact Mass269.11
IUPAC Name2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine
SMILESCC(C)(CN)CCCS(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S2/c1-10(2,9-11)5-4-6-15(12)7-8-16(3,13)14/h4-9,11H2,1-3H3
InChIKeyNASKBAPPZAATDE-UHFFFAOYSA-N
XLogP0.54
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine (CID 81328173) is 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine is CC(C)(CN)CCCS(=O)CCS(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine?
The InChIKey is NASKBAPPZAATDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S2/c1-10(2,9-11)5-4-6-15(12)7-8-16(3,13)14/h4-9,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine?
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine is sourced from PubChem (CID 81328173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).