N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide

C11H19N3O3S2 — CID 86775070

IUPACN-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCOC(c2nccs2)C1
InChIInChI=1S/C11H19N3O3S2/c1-19(15,16)13-3-2-5-14-6-7-17-10(9-14)11-12-4-8-18-11/h4,8,10,13H,2-3,5-7,9H2,1H3
InChIKeyXVGZQTBMQJXMBP-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.46
Rot. Bonds6

About N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide

N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide (PubChem CID 86775070) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide
PubChem CID86775070
Molecular FormulaC11H19N3O3S2
Molecular Weight305.42 g/mol
Exact Mass305.09
IUPAC NameN-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCOC(c2nccs2)C1
InChIInChI=1S/C11H19N3O3S2/c1-19(15,16)13-3-2-5-14-6-7-17-10(9-14)11-12-4-8-18-11/h4,8,10,13H,2-3,5-7,9H2,1H3
InChIKeyXVGZQTBMQJXMBP-UHFFFAOYSA-N
XLogP0.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide (CID 86775070) is N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide is CS(=O)(=O)NCCCN1CCOC(c2nccs2)C1.
What is the InChIKey of N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide?
The InChIKey is XVGZQTBMQJXMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-19(15,16)13-3-2-5-14-6-7-17-10(9-14)11-12-4-8-18-11/h4,8,10,13H,2-3,5-7,9H2,1H3.
What are the key properties of N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide?
N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide has a molecular weight of 305.42 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,3-thiazol-2-yl)morpholin-4-yl]propyl]methanesulfonamide is sourced from PubChem (CID 86775070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).