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

C10H21NO3S — CID 115820864

IUPAC4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine
SMILESCS(=O)(=O)CCCC(N)C1CCCCO1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-4-5-9(11)10-6-2-3-7-14-10/h9-10H,2-8,11H2,1H3
InChIKeyYWICTRUJZWXAIT-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.71
Rot. Bonds5

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

4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine (PubChem CID 115820864) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine
PubChem CID115820864
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine
SMILESCS(=O)(=O)CCCC(N)C1CCCCO1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-4-5-9(11)10-6-2-3-7-14-10/h9-10H,2-8,11H2,1H3
InChIKeyYWICTRUJZWXAIT-UHFFFAOYSA-N
XLogP0.71
TPSA69.39 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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-2-yl)tridecan-1-amine
CID 115846551
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870
1-cyclopropyl-5-methylsulfonylpentan-1-amine
CID 63355317
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
4-methylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-ol
CID 79963686
1-cyclobutyl-5-methylsulfonylpentan-2-amine
CID 103168350
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol
CID 114982933
2-cyclopentyl-5-methylsulfonylpentanoic acid
CID 112569238
2-heptan-2-yloxane
CID 67835602
4-methylsulfonyl-N-(oxan-2-yloxy)butanamide
CID 89073669

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine?
The IUPAC name of 4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine (CID 115820864) is 4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine.
What is the SMILES notation for 4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine?
The canonical SMILES for 4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine is CS(=O)(=O)CCCC(N)C1CCCCO1.
What is the InChIKey of 4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine?
The InChIKey is YWICTRUJZWXAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-15(12,13)8-4-5-9(11)10-6-2-3-7-14-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine?
4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine is sourced from PubChem (CID 115820864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).