N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide

C8H20N2O4S — CID 106332723

IUPACN-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide
SMILESCOC(CNCCCNS(C)(=O)=O)OC
InChIInChI=1S/C8H20N2O4S/c1-13-8(14-2)7-9-5-4-6-10-15(3,11)12/h8-10H,4-7H2,1-3H3
InChIKeyNZBJMKLPORIUHT-UHFFFAOYSA-N
MW240.32 g/mol
LogP-0.87
Rot. Bonds9

About N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide

N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide (PubChem CID 106332723) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide
PubChem CID106332723
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC NameN-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide
SMILESCOC(CNCCCNS(C)(=O)=O)OC
InChIInChI=1S/C8H20N2O4S/c1-13-8(14-2)7-9-5-4-6-10-15(3,11)12/h8-10H,4-7H2,1-3H3
InChIKeyNZBJMKLPORIUHT-UHFFFAOYSA-N
XLogP-0.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide
CID 81095053
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021
N-(2,2-dimethoxyethyl)dodecan-1-amine
CID 10308222
N-[3-[(3-butoxy-2-hydroxypropyl)amino]propyl]methanesulfonamide
CID 107266523
propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336503
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide
CID 28731714
N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine
CID 143635206
methane;N-[3-(methylamino)propyl]methanesulfonamide
CID 157130304
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
N-[3-(4,4,4-trifluorobutylamino)propyl]methanesulfonamide
CID 106336415
4-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336425
N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide
CID 113221919

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide (CID 106332723) is N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide is COC(CNCCCNS(C)(=O)=O)OC.
What is the InChIKey of N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide?
The InChIKey is NZBJMKLPORIUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c1-13-8(14-2)7-9-5-4-6-10-15(3,11)12/h8-10H,4-7H2,1-3H3.
What are the key properties of N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide?
N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide has a molecular weight of 240.32 g/mol, XLogP of -0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106332723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).