4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine

C9H19NO3S — CID 62601432

IUPAC4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine
SMILESCS(=O)(=O)CCC(N)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-14(11,12)6-4-8(10)7-9-3-2-5-13-9/h8-9H,2-7,10H2,1H3
InChIKeyZLPAKECZRUIZEB-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds5

About 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine

4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine (PubChem CID 62601432) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine
PubChem CID62601432
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine
SMILESCS(=O)(=O)CCC(N)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-14(11,12)6-4-8(10)7-9-3-2-5-13-9/h8-9H,2-7,10H2,1H3
InChIKeyZLPAKECZRUIZEB-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine (CID 62601432) is 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine is CS(=O)(=O)CCC(N)CC1CCCO1.
What is the InChIKey of 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine?
The InChIKey is ZLPAKECZRUIZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(11,12)6-4-8(10)7-9-3-2-5-13-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine?
4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 62601432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).