N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide

C12H26N2O4S — CID 59831553

IUPACN-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide
SMILESCN(CCN1CCOCC1CO)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O4S/c1-12(2,3)19(16,17)13(4)5-6-14-7-8-18-10-11(14)9-15/h11,15H,5-10H2,1-4H3
InChIKeyZCVBGFJRTYEBJF-UHFFFAOYSA-N
MW294.42 g/mol
LogP-0.26
Rot. Bonds5

About N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide

N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide (PubChem CID 59831553) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide
PubChem CID59831553
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC NameN-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide
SMILESCN(CCN1CCOCC1CO)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O4S/c1-12(2,3)19(16,17)13(4)5-6-14-7-8-18-10-11(14)9-15/h11,15H,5-10H2,1-4H3
InChIKeyZCVBGFJRTYEBJF-UHFFFAOYSA-N
XLogP-0.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide (CID 59831553) is N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide is CN(CCN1CCOCC1CO)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide?
The InChIKey is ZCVBGFJRTYEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-12(2,3)19(16,17)13(4)5-6-14-7-8-18-10-11(14)9-15/h11,15H,5-10H2,1-4H3.
What are the key properties of N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide?
N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide is sourced from PubChem (CID 59831553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).