methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate

C14H30N2O4S — CID 79842102

IUPACmethyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCCN(C)CCS(C)(=O)=O)C(=O)OC
InChIInChI=1S/C14H30N2O4S/c1-6-9-15-14(2,13(17)20-4)8-7-10-16(3)11-12-21(5,18)19/h15H,6-12H2,1-5H3
InChIKeyYSSTWHSOOCUZED-UHFFFAOYSA-N
MW322.47 g/mol
LogP0.67
Rot. Bonds11

About methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate

methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate (PubChem CID 79842102) has the molecular formula C14H30N2O4S and a molecular weight of 322.47 g/mol. Its IUPAC name is methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate
PubChem CID79842102
Molecular FormulaC14H30N2O4S
Molecular Weight322.47 g/mol
Exact Mass322.19
IUPAC Namemethyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCCN(C)CCS(C)(=O)=O)C(=O)OC
InChIInChI=1S/C14H30N2O4S/c1-6-9-15-14(2,13(17)20-4)8-7-10-16(3)11-12-21(5,18)19/h15H,6-12H2,1-5H3
InChIKeyYSSTWHSOOCUZED-UHFFFAOYSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate
CID 79842103
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
methyl 2-[2-(dimethylamino)ethylamino]-2-methylheptanoate
CID 80557685
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanenitrile
CID 79849690
methyl 2-methyl-2-(propylamino)-5-(3,3,3-trifluoropropoxy)pentanoate
CID 82957801
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanamide
CID 63008631
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide
CID 79859382
2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 79859172
methyl 4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoate
CID 79859194
methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate
CID 60796248
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide
CID 63210817
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate?
The IUPAC name of methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate (CID 79842102) is methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate is CCCNC(C)(CCCN(C)CCS(C)(=O)=O)C(=O)OC.
What is the InChIKey of methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate?
The InChIKey is YSSTWHSOOCUZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4S/c1-6-9-15-14(2,13(17)20-4)8-7-10-16(3)11-12-21(5,18)19/h15H,6-12H2,1-5H3.
What are the key properties of methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate?
methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate has a molecular weight of 322.47 g/mol, XLogP of 0.67, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate is sourced from PubChem (CID 79842102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).