5-methylsulfonyl-1-propan-2-yloxypentan-2-amine

C9H21NO3S — CID 105112986

IUPAC5-methylsulfonyl-1-propan-2-yloxypentan-2-amine
SMILESCC(C)OCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-8(2)13-7-9(10)5-4-6-14(3,11)12/h8-9H,4-7,10H2,1-3H3
InChIKeyPCDOKZBXDHUEDC-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.56
Rot. Bonds7

About 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine

5-methylsulfonyl-1-propan-2-yloxypentan-2-amine (PubChem CID 105112986) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-1-propan-2-yloxypentan-2-amine
PubChem CID105112986
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name5-methylsulfonyl-1-propan-2-yloxypentan-2-amine
SMILESCC(C)OCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-8(2)13-7-9(10)5-4-6-14(3,11)12/h8-9H,4-7,10H2,1-3H3
InChIKeyPCDOKZBXDHUEDC-UHFFFAOYSA-N
XLogP0.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine?
The IUPAC name of 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine (CID 105112986) is 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine.
What is the SMILES notation for 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine?
The canonical SMILES for 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine is CC(C)OCC(N)CCCS(C)(=O)=O.
What is the InChIKey of 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine?
The InChIKey is PCDOKZBXDHUEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(2)13-7-9(10)5-4-6-14(3,11)12/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine?
5-methylsulfonyl-1-propan-2-yloxypentan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-propan-2-yloxypentan-2-amine is sourced from PubChem (CID 105112986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).