N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide

C10H19N3O2S2 — CID 71986830

IUPACN-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCNC(C)(C)c1nccs1
InChIInChI=1S/C10H19N3O2S2/c1-10(2,9-12-6-7-16-9)13-5-4-8-17(14,15)11-3/h6-7,11,13H,4-5,8H2,1-3H3
InChIKeyMROAWYLIIQPHBX-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.91
Rot. Bonds7

About N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide

N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide (PubChem CID 71986830) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
PubChem CID71986830
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC NameN-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCNC(C)(C)c1nccs1
InChIInChI=1S/C10H19N3O2S2/c1-10(2,9-12-6-7-16-9)13-5-4-8-17(14,15)11-3/h6-7,11,13H,4-5,8H2,1-3H3
InChIKeyMROAWYLIIQPHBX-UHFFFAOYSA-N
XLogP0.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.91
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-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide?
The IUPAC name of N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide (CID 71986830) is N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide is CNS(=O)(=O)CCCNC(C)(C)c1nccs1.
What is the InChIKey of N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide?
The InChIKey is MROAWYLIIQPHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-10(2,9-12-6-7-16-9)13-5-4-8-17(14,15)11-3/h6-7,11,13H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide?
N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide is sourced from PubChem (CID 71986830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).