N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine

C10H21NO3S — CID 64675493

IUPACN-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine
SMILESCNC(C)CCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H21NO3S/c1-9(11-2)5-8-15(12,13)10-3-6-14-7-4-10/h9-11H,3-8H2,1-2H3
InChIKeyYMAIIKNEOGAPHD-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.58
Rot. Bonds5

About N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine

N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine (PubChem CID 64675493) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine
PubChem CID64675493
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine
SMILESCNC(C)CCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H21NO3S/c1-9(11-2)5-8-15(12,13)10-3-6-14-7-4-10/h9-11H,3-8H2,1-2H3
InChIKeyYMAIIKNEOGAPHD-UHFFFAOYSA-N
XLogP0.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine?
The IUPAC name of N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine (CID 64675493) is N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine?
The canonical SMILES for N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine is CNC(C)CCS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine?
The InChIKey is YMAIIKNEOGAPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(11-2)5-8-15(12,13)10-3-6-14-7-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine?
N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine is sourced from PubChem (CID 64675493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).