N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide

C10H19N3O2S2 — CID 55012367

IUPACN-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C10H19N3O2S2/c1-9(2)11-4-5-17(14,15)13(3)6-10-7-16-8-12-10/h7-9,11H,4-6H2,1-3H3
InChIKeyLPMXXBDWDFZWNP-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.90
Rot. Bonds7

About N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide

N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide (PubChem CID 55012367) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
PubChem CID55012367
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC NameN-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C10H19N3O2S2/c1-9(2)11-4-5-17(14,15)13(3)6-10-7-16-8-12-10/h7-9,11H,4-6H2,1-3H3
InChIKeyLPMXXBDWDFZWNP-UHFFFAOYSA-N
XLogP0.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
The IUPAC name of N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide (CID 55012367) is N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide is CC(C)NCCS(=O)(=O)N(C)Cc1cscn1.
What is the InChIKey of N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
The InChIKey is LPMXXBDWDFZWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-9(2)11-4-5-17(14,15)13(3)6-10-7-16-8-12-10/h7-9,11H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide has a molecular weight of 277.41 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 55012367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).