5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine

C11H25NO3S — CID 116757678

IUPAC5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
SMILESCCC(C)(OC)C(CCCS(C)(=O)=O)NC
InChIInChI=1S/C11H25NO3S/c1-6-11(2,15-4)10(12-3)8-7-9-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyZGYHARZGNRITDN-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds8

About 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine

5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine (PubChem CID 116757678) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine.

Molecular Properties

Compound Name5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
PubChem CID116757678
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
SMILESCCC(C)(OC)C(CCCS(C)(=O)=O)NC
InChIInChI=1S/C11H25NO3S/c1-6-11(2,15-4)10(12-3)8-7-9-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyZGYHARZGNRITDN-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dimethoxy-N,5-dimethylheptan-4-amine
CID 114857129
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603
N-ethyl-1-ethylsulfonyl-5-methoxy-5-methylheptan-4-amine
CID 116757969
4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
CID 116758182
4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine
CID 116760804
5-ethyl-1-ethylsulfonyl-5-methoxy-N-methylheptan-4-amine
CID 116760878
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine
CID 105275021
5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine
CID 115820781
(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105215617
1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol
CID 116752031
2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 116727096

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine?
The IUPAC name of 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine (CID 116757678) is 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine.
What is the SMILES notation for 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine?
The canonical SMILES for 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine is CCC(C)(OC)C(CCCS(C)(=O)=O)NC.
What is the InChIKey of 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine?
The InChIKey is ZGYHARZGNRITDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-6-11(2,15-4)10(12-3)8-7-9-16(5,13)14/h10,12H,6-9H2,1-5H3.
What are the key properties of 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine?
5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine has a molecular weight of 251.39 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine is sourced from PubChem (CID 116757678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).