4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide

C12H17NO3S2 — CID 114116819

IUPAC4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
SMILESCSC1(CNS(=O)(=O)c2ccc(O)cc2)CCC1
InChIInChI=1S/C12H17NO3S2/c1-17-12(7-2-8-12)9-13-18(15,16)11-5-3-10(14)4-6-11/h3-6,13-14H,2,7-9H2,1H3
InChIKeyBOAKIVDHNNBBLG-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.96
Rot. Bonds5

About 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide

4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide (PubChem CID 114116819) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
PubChem CID114116819
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
SMILESCSC1(CNS(=O)(=O)c2ccc(O)cc2)CCC1
InChIInChI=1S/C12H17NO3S2/c1-17-12(7-2-8-12)9-13-18(15,16)11-5-3-10(14)4-6-11/h3-6,13-14H,2,7-9H2,1H3
InChIKeyBOAKIVDHNNBBLG-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylsulfanylcyclobutyl)methylsulfamoyl]benzoic acid
CID 107266400
4-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090703
6-hydrazinyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
CID 114116657
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83121671
3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide
CID 106000766
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000847
3-chloro-4-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 107270940
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 107271026
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699
3-bromo-4-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107270998

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide (CID 114116819) is 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide is CSC1(CNS(=O)(=O)c2ccc(O)cc2)CCC1.
What is the InChIKey of 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide?
The InChIKey is BOAKIVDHNNBBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-17-12(7-2-8-12)9-13-18(15,16)11-5-3-10(14)4-6-11/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide?
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide has a molecular weight of 287.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114116819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).