6-methylsulfonyl-3-propan-2-ylhexan-2-amine

C10H23NO2S — CID 63191205

IUPAC6-methylsulfonyl-3-propan-2-ylhexan-2-amine
SMILESCC(C)C(CCCS(C)(=O)=O)C(C)N
InChIInChI=1S/C10H23NO2S/c1-8(2)10(9(3)11)6-5-7-14(4,12)13/h8-10H,5-7,11H2,1-4H3
InChIKeyDWLNLEPZSDJRDU-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.43
Rot. Bonds6

About 6-methylsulfonyl-3-propan-2-ylhexan-2-amine

6-methylsulfonyl-3-propan-2-ylhexan-2-amine (PubChem CID 63191205) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 6-methylsulfonyl-3-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name6-methylsulfonyl-3-propan-2-ylhexan-2-amine
PubChem CID63191205
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name6-methylsulfonyl-3-propan-2-ylhexan-2-amine
SMILESCC(C)C(CCCS(C)(=O)=O)C(C)N
InChIInChI=1S/C10H23NO2S/c1-8(2)10(9(3)11)6-5-7-14(4,12)13/h8-10H,5-7,11H2,1-4H3
InChIKeyDWLNLEPZSDJRDU-UHFFFAOYSA-N
XLogP1.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-3-propan-2-ylhexan-2-amine?
The IUPAC name of 6-methylsulfonyl-3-propan-2-ylhexan-2-amine (CID 63191205) is 6-methylsulfonyl-3-propan-2-ylhexan-2-amine.
What is the SMILES notation for 6-methylsulfonyl-3-propan-2-ylhexan-2-amine?
The canonical SMILES for 6-methylsulfonyl-3-propan-2-ylhexan-2-amine is CC(C)C(CCCS(C)(=O)=O)C(C)N.
What is the InChIKey of 6-methylsulfonyl-3-propan-2-ylhexan-2-amine?
The InChIKey is DWLNLEPZSDJRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-8(2)10(9(3)11)6-5-7-14(4,12)13/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 6-methylsulfonyl-3-propan-2-ylhexan-2-amine?
6-methylsulfonyl-3-propan-2-ylhexan-2-amine has a molecular weight of 221.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-3-propan-2-ylhexan-2-amine is sourced from PubChem (CID 63191205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).