N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine

C9H19NO3S — CID 139514127

IUPACN-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine
SMILESCNCC1(CS(C)(=O)=O)CCOCC1
InChIInChI=1S/C9H19NO3S/c1-10-7-9(8-14(2,11)12)3-5-13-6-4-9/h10H,3-8H2,1-2H3
InChIKeyWNOBVRVCZKUJQI-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.05
Rot. Bonds4

About N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine

N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine (PubChem CID 139514127) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine
PubChem CID139514127
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine
SMILESCNCC1(CS(C)(=O)=O)CCOCC1
InChIInChI=1S/C9H19NO3S/c1-10-7-9(8-14(2,11)12)3-5-13-6-4-9/h10H,3-8H2,1-2H3
InChIKeyWNOBVRVCZKUJQI-UHFFFAOYSA-N
XLogP0.05
TPSA55.40 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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 63195699
2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine
CID 133405927
5-bromo-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-3-amine
CID 133405812
1-(4-chloro-2-methylphenyl)-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]methanamine
CID 86794725
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-1,3-benzothiazol-2-amine
CID 133405909
1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
CID 130640166
2-fluoro-6-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]benzonitrile
CID 133405829
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133405929
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-3-nitropyridin-2-amine
CID 133405865
1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine
CID 62907290
2-methoxy-N-[[4-(2-methylsulfonylethyl)oxan-4-yl]methyl]ethanamine
CID 62905763

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine (CID 139514127) is N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine is CNCC1(CS(C)(=O)=O)CCOCC1.
What is the InChIKey of N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine?
The InChIKey is WNOBVRVCZKUJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-10-7-9(8-14(2,11)12)3-5-13-6-4-9/h10H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine?
N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 139514127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).