1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide

C9H19NO4S — CID 106001112

IUPAC1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)C(C)CO)CCC1
InChIInChI=1S/C9H19NO4S/c1-8(6-11)15(12,13)10-7-9(14-2)4-3-5-9/h8,10-11H,3-7H2,1-2H3
InChIKeyTZDOBDJZMPMFEX-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.14
Rot. Bonds6

About 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide

1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide (PubChem CID 106001112) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide
PubChem CID106001112
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)C(C)CO)CCC1
InChIInChI=1S/C9H19NO4S/c1-8(6-11)15(12,13)10-7-9(14-2)4-3-5-9/h8,10-11H,3-7H2,1-2H3
InChIKeyTZDOBDJZMPMFEX-UHFFFAOYSA-N
XLogP-0.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
CID 104759974
1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
CID 106080460
methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
CID 103352907
4-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]piperidine-1-sulfonamide
CID 106090911
3-chloro-4-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001077
2-chloro-5-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001069
2,5-dichloro-3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001090
N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide
CID 91816798
N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106091027
1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106002074
4-methoxy-4-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]piperidine
CID 114284389
2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81163633

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide (CID 106001112) is 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide is COC1(CNS(=O)(=O)C(C)CO)CCC1.
What is the InChIKey of 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide?
The InChIKey is TZDOBDJZMPMFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(6-11)15(12,13)10-7-9(14-2)4-3-5-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide?
1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 106001112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).