1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide

C15H19NO3S — CID 64989407

IUPAC1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide
SMILESO=S(=O)(CC1CC1)NCc1ccc(C#CCCO)cc1
InChIInChI=1S/C15H19NO3S/c17-10-2-1-3-13-4-6-14(7-5-13)11-16-20(18,19)12-15-8-9-15/h4-7,15-17H,2,8-12H2
InChIKeyOXTQOJDSKCJLLS-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.25
Rot. Bonds6

About 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide

1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide (PubChem CID 64989407) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide
PubChem CID64989407
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide
SMILESO=S(=O)(CC1CC1)NCc1ccc(C#CCCO)cc1
InChIInChI=1S/C15H19NO3S/c17-10-2-1-3-13-4-6-14(7-5-13)11-16-20(18,19)12-15-8-9-15/h4-7,15-17H,2,8-12H2
InChIKeyOXTQOJDSKCJLLS-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide
CID 105361505
4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol
CID 114811799
1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide
CID 64989273
N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
CID 62268773
3-[4-[(cyclopropylmethylsulfonylamino)methyl]phenyl]prop-2-enoic acid
CID 77052504
N-[4-(4-hydroxybut-1-ynyl)phenyl]ethanesulfonamide
CID 54922638
1-ethyl-3-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]urea
CID 54966584
4-[4-(oxan-4-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 62383035
N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79578689
1-(4-hydroxybut-1-ynyl)-3-[(sulfamoylamino)methyl]benzene
CID 114959491
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide
CID 79157114
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide (CID 64989407) is 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide is O=S(=O)(CC1CC1)NCc1ccc(C#CCCO)cc1.
What is the InChIKey of 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide?
The InChIKey is OXTQOJDSKCJLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-10-2-1-3-13-4-6-14(7-5-13)11-16-20(18,19)12-15-8-9-15/h4-7,15-17H,2,8-12H2.
What are the key properties of 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide?
1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 64989407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).