N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide

C9H17N3O2S2 — CID 84589515

IUPACN-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)CCc1nccs1
InChIInChI=1S/C9H17N3O2S2/c1-12(7-4-11-16(2,13)14)6-3-9-10-5-8-15-9/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyYGKCJUCAHYTNIE-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.17
Rot. Bonds7

About N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide

N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide (PubChem CID 84589515) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide
PubChem CID84589515
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC NameN-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)CCc1nccs1
InChIInChI=1S/C9H17N3O2S2/c1-12(7-4-11-16(2,13)14)6-3-9-10-5-8-15-9/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyYGKCJUCAHYTNIE-UHFFFAOYSA-N
XLogP0.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide (CID 84589515) is N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide is CN(CCNS(C)(=O)=O)CCc1nccs1.
What is the InChIKey of N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide?
The InChIKey is YGKCJUCAHYTNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-12(7-4-11-16(2,13)14)6-3-9-10-5-8-15-9/h5,8,11H,3-4,6-7H2,1-2H3.
What are the key properties of N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide?
N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide has a molecular weight of 263.39 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 84589515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).