2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol

C13H30N2O3S — CID 79859172

IUPAC2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCN(C)CCS(C)(=O)=O
InChIInChI=1S/C13H30N2O3S/c1-12(2)14-13(3,11-16)7-6-8-15(4)9-10-19(5,17)18/h12,14,16H,6-11H2,1-5H3
InChIKeyDKDPRIVCLBHVDE-UHFFFAOYSA-N
MW294.46 g/mol
LogP0.49
Rot. Bonds10

About 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol

2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 79859172) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
PubChem CID79859172
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC Name2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCN(C)CCS(C)(=O)=O
InChIInChI=1S/C13H30N2O3S/c1-12(2)14-13(3,11-16)7-6-8-15(4)9-10-19(5,17)18/h12,14,16H,6-11H2,1-5H3
InChIKeyDKDPRIVCLBHVDE-UHFFFAOYSA-N
XLogP0.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol with MolForge

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Related Compounds

4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64792219
2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826225
4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825186
5-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64797279
2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol
CID 64797449
methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate
CID 79842102
5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790514
6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
5-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795940
2-methyl-5-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 64798346
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176
6-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64826309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol (CID 79859172) is 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CCCN(C)CCS(C)(=O)=O.
What is the InChIKey of 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is DKDPRIVCLBHVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3S/c1-12(2)14-13(3,11-16)7-6-8-15(4)9-10-19(5,17)18/h12,14,16H,6-11H2,1-5H3.
What are the key properties of 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 294.46 g/mol, XLogP of 0.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 79859172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).