N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide

C10H14N4O3S2 — CID 60814950

IUPACN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide
SMILESNCC#Cc1cnc(NS(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C10H14N4O3S2/c11-3-1-2-9-8-12-10(18-9)13-19(15,16)14-4-6-17-7-5-14/h8H,3-7,11H2,(H,12,13)
InChIKeyKSXPLUGQQDJCJI-UHFFFAOYSA-N
MW302.38 g/mol
LogP-0.56
Rot. Bonds3

About N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide

N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide (PubChem CID 60814950) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide
PubChem CID60814950
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide
SMILESNCC#Cc1cnc(NS(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C10H14N4O3S2/c11-3-1-2-9-8-12-10(18-9)13-19(15,16)14-4-6-17-7-5-14/h8H,3-7,11H2,(H,12,13)
InChIKeyKSXPLUGQQDJCJI-UHFFFAOYSA-N
XLogP-0.56
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide
CID 60784975
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361539
5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 114812032
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 62063011
5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole
CID 60815113
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 60804255
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbutane-1-sulfonamide
CID 63856077
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-sulfonamide
CID 62048099
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide
CID 106598860
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361479
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 60803559
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 102922451

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide (CID 60814950) is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide is NCC#Cc1cnc(NS(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide?
The InChIKey is KSXPLUGQQDJCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c11-3-1-2-9-8-12-10(18-9)13-19(15,16)14-4-6-17-7-5-14/h8H,3-7,11H2,(H,12,13).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide?
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide has a molecular weight of 302.38 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 60814950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).