N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide

C9H13NO3S2 — CID 66006317

IUPACN-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)c1cccs1
InChIInChI=1S/C9H13NO3S2/c11-8-4-7(5-8)6-10-15(12,13)9-2-1-3-14-9/h1-3,7-8,10-11H,4-6H2
InChIKeyHRWCGJHFQSJVIP-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.80
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide (PubChem CID 66006317) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
PubChem CID66006317
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)c1cccs1
InChIInChI=1S/C9H13NO3S2/c11-8-4-7(5-8)6-10-15(12,13)9-2-1-3-14-9/h1-3,7-8,10-11H,4-6H2
InChIKeyHRWCGJHFQSJVIP-UHFFFAOYSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 16919684
N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 114295389
N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide
CID 91354078
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 90770865
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 16919844
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 15989581

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide (CID 66006317) is N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1CC(O)C1)c1cccs1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide?
The InChIKey is HRWCGJHFQSJVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c11-8-4-7(5-8)6-10-15(12,13)9-2-1-3-14-9/h1-3,7-8,10-11H,4-6H2.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 66006317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).