N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide

C12H28N2O4S — CID 55004039

IUPACN-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOCCN(C(C)COC)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H28N2O4S/c1-11(2)13-6-9-19(15,16)14(7-8-17-4)12(3)10-18-5/h11-13H,6-10H2,1-5H3
InChIKeyCYMOKSLTYHUZON-UHFFFAOYSA-N
MW296.43 g/mol
LogP0.30
Rot. Bonds11

About N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 55004039) has the molecular formula C12H28N2O4S and a molecular weight of 296.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID55004039
Molecular FormulaC12H28N2O4S
Molecular Weight296.43 g/mol
Exact Mass296.18
IUPAC NameN-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOCCN(C(C)COC)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H28N2O4S/c1-11(2)13-6-9-19(15,16)14(7-8-17-4)12(3)10-18-5/h11-13H,6-10H2,1-5H3
InChIKeyCYMOKSLTYHUZON-UHFFFAOYSA-N
XLogP0.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (CID 55004039) is N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is COCCN(C(C)COC)S(=O)(=O)CCNC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is CYMOKSLTYHUZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O4S/c1-11(2)13-6-9-19(15,16)14(7-8-17-4)12(3)10-18-5/h11-13H,6-10H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 296.43 g/mol, XLogP of 0.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 55004039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).