N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide

C14H18N2O4S — CID 60813412

IUPACN-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide
SMILESCc1cc(C#CCO)ccc1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H18N2O4S/c1-12-11-13(3-2-8-17)4-5-14(12)15-21(18,19)16-6-9-20-10-7-16/h4-5,11,15,17H,6-10H2,1H3
InChIKeySHAWMJHUGRECME-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.33
Rot. Bonds3

About N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide

N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide (PubChem CID 60813412) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide
PubChem CID60813412
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide
SMILESCc1cc(C#CCO)ccc1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H18N2O4S/c1-12-11-13(3-2-8-17)4-5-14(12)15-21(18,19)16-6-9-20-10-7-16/h4-5,11,15,17H,6-10H2,1H3
InChIKeySHAWMJHUGRECME-UHFFFAOYSA-N
XLogP0.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024
3-[4-(ethylsulfamoylamino)-3-methylphenyl]prop-2-yn-1-ol
CID 114811692
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716
methyl 2-[[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]sulfamoyl]acetate
CID 61456844
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide
CID 83023821
N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide
CID 54880810
N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 62104142
N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide
CID 60814266
3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 60827859
3-(5-methyl-2-morpholin-4-ylsulfonylphenyl)prop-2-yn-1-ol
CID 60822863
3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-yn-1-ol
CID 60824742
4-[4-(cyclopropylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114811753

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide (CID 60813412) is N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide is Cc1cc(C#CCO)ccc1NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide?
The InChIKey is SHAWMJHUGRECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-12-11-13(3-2-8-17)4-5-14(12)15-21(18,19)16-6-9-20-10-7-16/h4-5,11,15,17H,6-10H2,1H3.
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide?
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide is sourced from PubChem (CID 60813412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).