2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine

C9H19NO3S — CID 81188201

IUPAC2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine
SMILESCC(C)(N)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-9(2,10)7-14(11,12)6-8-4-3-5-13-8/h8H,3-7,10H2,1-2H3
InChIKeyHFXUOQWZRQOBBX-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds4

About 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine

2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine (PubChem CID 81188201) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine
PubChem CID81188201
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine
SMILESCC(C)(N)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-9(2,10)7-14(11,12)6-8-4-3-5-13-8/h8H,3-7,10H2,1-2H3
InChIKeyHFXUOQWZRQOBBX-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine (CID 81188201) is 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine is CC(C)(N)CS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine?
The InChIKey is HFXUOQWZRQOBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,10)7-14(11,12)6-8-4-3-5-13-8/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine?
2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine is sourced from PubChem (CID 81188201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).