1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine

C13H29NO3S — CID 113391491

IUPAC1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine
SMILESCCCNC(CCCS(=O)(=O)CC)CC(C)OC
InChIInChI=1S/C13H29NO3S/c1-5-9-14-13(11-12(3)17-4)8-7-10-18(15,16)6-2/h12-14H,5-11H2,1-4H3
InChIKeyVQSGJJWTHVMNJB-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.99
Rot. Bonds11

About 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine

1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine (PubChem CID 113391491) has the molecular formula C13H29NO3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine
PubChem CID113391491
Molecular FormulaC13H29NO3S
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC Name1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine
SMILESCCCNC(CCCS(=O)(=O)CC)CC(C)OC
InChIInChI=1S/C13H29NO3S/c1-5-9-14-13(11-12(3)17-4)8-7-10-18(15,16)6-2/h12-14H,5-11H2,1-4H3
InChIKeyVQSGJJWTHVMNJB-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethylsulfonyl-6-methoxy-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

1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
CID 103027266
5-ethylsulfonyl-1,1-dimethoxy-N-propylpentan-2-amine
CID 79493276
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 116725019
7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
N-(2-ethylsulfonylethyl)undecan-6-amine
CID 103780991
5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 65095900
1-ethylsulfonyl-7-methoxyoctan-4-ol
CID 105101726
1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
CID 107758651
6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine
CID 106807857
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine?
The IUPAC name of 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine (CID 113391491) is 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine?
The canonical SMILES for 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine is CCCNC(CCCS(=O)(=O)CC)CC(C)OC.
What is the InChIKey of 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine?
The InChIKey is VQSGJJWTHVMNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3S/c1-5-9-14-13(11-12(3)17-4)8-7-10-18(15,16)6-2/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine?
1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine has a molecular weight of 279.45 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine is sourced from PubChem (CID 113391491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).