N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide

C7H15N3O2S2 — CID 43546259

IUPACN-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide
SMILESCC1CN=C(NCCNS(C)(=O)=O)S1
InChIInChI=1S/C7H15N3O2S2/c1-6-5-9-7(13-6)8-3-4-10-14(2,11)12/h6,10H,3-5H2,1-2H3,(H,8,9)
InChIKeyORYOTJJQSGLDRG-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.38
Rot. Bonds4

About N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 43546259) has the molecular formula C7H15N3O2S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide
PubChem CID43546259
Molecular FormulaC7H15N3O2S2
Molecular Weight237.35 g/mol
Exact Mass237.06
IUPAC NameN-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide
SMILESCC1CN=C(NCCNS(C)(=O)=O)S1
InChIInChI=1S/C7H15N3O2S2/c1-6-5-9-7(13-6)8-3-4-10-14(2,11)12/h6,10H,3-5H2,1-2H3,(H,8,9)
InChIKeyORYOTJJQSGLDRG-UHFFFAOYSA-N
XLogP-0.38
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide (CID 43546259) is N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide is CC1CN=C(NCCNS(C)(=O)=O)S1.
What is the InChIKey of N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is ORYOTJJQSGLDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S2/c1-6-5-9-7(13-6)8-3-4-10-14(2,11)12/h6,10H,3-5H2,1-2H3,(H,8,9).
What are the key properties of N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 237.35 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 43546259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).