N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide

C10H19N3O2S2 — CID 71869004

IUPACN-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide
SMILESCc1csc(C(C)(C)NCCNS(C)(=O)=O)n1
InChIInChI=1S/C10H19N3O2S2/c1-8-7-16-9(13-8)10(2,3)11-5-6-12-17(4,14)15/h7,11-12H,5-6H2,1-4H3
InChIKeyHOEODGDMUFXPCU-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.83
Rot. Bonds6

About N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide

N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide (PubChem CID 71869004) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide
PubChem CID71869004
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC NameN-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide
SMILESCc1csc(C(C)(C)NCCNS(C)(=O)=O)n1
InChIInChI=1S/C10H19N3O2S2/c1-8-7-16-9(13-8)10(2,3)11-5-6-12-17(4,14)15/h7,11-12H,5-6H2,1-4H3
InChIKeyHOEODGDMUFXPCU-UHFFFAOYSA-N
XLogP0.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.83
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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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 3237999
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 3241103
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 47397823
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 53512876
1-methylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 53512877
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796
N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986802
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]ethanesulfonamide
CID 72114790
2-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole
CID 10977318
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 47146723
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 53591315
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 71980322

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide (CID 71869004) is N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide is Cc1csc(C(C)(C)NCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide?
The InChIKey is HOEODGDMUFXPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-8-7-16-9(13-8)10(2,3)11-5-6-12-17(4,14)15/h7,11-12H,5-6H2,1-4H3.
What are the key properties of N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide?
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide has a molecular weight of 277.41 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 71869004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).