1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine

C15H33NO3S — CID 116725019

IUPAC1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C(OC)C(C)(C)C
InChIInChI=1S/C15H33NO3S/c1-7-11-16-13(14(19-6)15(3,4)5)10-9-12-20(17,18)8-2/h13-14,16H,7-12H2,1-6H3
InChIKeyDPWFRWAOMTWLBU-UHFFFAOYSA-N
MW307.50 g/mol
LogP2.63
Rot. Bonds10

About 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine

1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine (PubChem CID 116725019) has the molecular formula C15H33NO3S and a molecular weight of 307.50 g/mol. Its IUPAC name is 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
PubChem CID116725019
Molecular FormulaC15H33NO3S
Molecular Weight307.50 g/mol
Exact Mass307.22
IUPAC Name1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C(OC)C(C)(C)C
InChIInChI=1S/C15H33NO3S/c1-7-11-16-13(14(19-6)15(3,4)5)10-9-12-20(17,18)8-2/h13-14,16H,7-12H2,1-6H3
InChIKeyDPWFRWAOMTWLBU-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-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

5-ethylsulfonyl-1,1-dimethoxy-N-propylpentan-2-amine
CID 79493276
1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
CID 103027266
(5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine
CID 105273689
3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine
CID 114476002
5-methoxy-6-methyl-1-methylsulfonyl-N-propylheptan-4-amine
CID 116720556
8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine
CID 65097308
2-methyl-N-propyl-7-propylsulfonylheptan-3-amine
CID 106732296
1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine
CID 113391491
3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
CID 103036085
N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
CID 114857105
3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
(1-ethylsulfonyl-6-methoxy-6-methylheptan-4-yl)hydrazine
CID 103025337

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine?
The IUPAC name of 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine (CID 116725019) is 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine?
The canonical SMILES for 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine is CCCNC(CCCS(=O)(=O)CC)C(OC)C(C)(C)C.
What is the InChIKey of 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine?
The InChIKey is DPWFRWAOMTWLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3S/c1-7-11-16-13(14(19-6)15(3,4)5)10-9-12-20(17,18)8-2/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine?
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine has a molecular weight of 307.50 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine is sourced from PubChem (CID 116725019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).