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

C14H31NO3S — CID 103027266

IUPAC1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
SMILESCCCNC(CCCS(=O)(=O)CC)CC(C)(C)OC
InChIInChI=1S/C14H31NO3S/c1-6-10-15-13(12-14(3,4)18-5)9-8-11-19(16,17)7-2/h13,15H,6-12H2,1-5H3
InChIKeyUITBFKHCHCVENW-UHFFFAOYSA-N
MW293.47 g/mol
LogP2.38
Rot. Bonds11

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

1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine (PubChem CID 103027266) has the molecular formula C14H31NO3S and a molecular weight of 293.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
PubChem CID103027266
Molecular FormulaC14H31NO3S
Molecular Weight293.47 g/mol
Exact Mass293.20
IUPAC Name1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
SMILESCCCNC(CCCS(=O)(=O)CC)CC(C)(C)OC
InChIInChI=1S/C14H31NO3S/c1-6-10-15-13(12-14(3,4)18-5)9-8-11-19(16,17)7-2/h13,15H,6-12H2,1-5H3
InChIKeyUITBFKHCHCVENW-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylsulfonyl-6-methoxy-6-methylheptan-4-yl)hydrazine
CID 103025337
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043
1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine
CID 113391491
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 116725019
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
5-ethylsulfonyl-1,1-dimethoxy-N-propylpentan-2-amine
CID 79493276
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine
CID 65097308
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271
N-(2-ethylsulfonylethyl)undecan-6-amine
CID 103780991
5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 65095900

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine?
The IUPAC name of 1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine (CID 103027266) is 1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine?
The canonical SMILES for 1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine is CCCNC(CCCS(=O)(=O)CC)CC(C)(C)OC.
What is the InChIKey of 1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine?
The InChIKey is UITBFKHCHCVENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3S/c1-6-10-15-13(12-14(3,4)18-5)9-8-11-19(16,17)7-2/h13,15H,6-12H2,1-5H3.
What are the key properties of 1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine?
1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine has a molecular weight of 293.47 g/mol, XLogP of 2.38, 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-6-methyl-N-propylheptan-4-amine is sourced from PubChem (CID 103027266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).