2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide

C8H13N3O3S2 — CID 133329795

IUPAC2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2(O)CCC2)s1
InChIInChI=1S/C8H13N3O3S2/c9-16(13,14)6-4-10-7(15-6)11-5-8(12)2-1-3-8/h4,12H,1-3,5H2,(H,10,11)(H2,9,13,14)
InChIKeyMAKGQLHCEKCIMN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.12
Rot. Bonds4

About 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide

2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133329795) has the molecular formula C8H13N3O3S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133329795
Molecular FormulaC8H13N3O3S2
Molecular Weight263.34 g/mol
Exact Mass263.04
IUPAC Name2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2(O)CCC2)s1
InChIInChI=1S/C8H13N3O3S2/c9-16(13,14)6-4-10-7(15-6)11-5-8(12)2-1-3-8/h4,12H,1-3,5H2,(H,10,11)(H2,9,13,14)
InChIKeyMAKGQLHCEKCIMN-UHFFFAOYSA-N
XLogP0.12
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133296770
2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133302465
2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide
CID 131020862
4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol
CID 102768812
2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
CID 133327400
2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide
CID 133275877
2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133279971
2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133406322
2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide
CID 133378448
1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
CID 65274526
2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 86818334
2-ethyl-1,3-thiazole-5-sulfonamide
CID 86037919

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide (CID 133329795) is 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCC2(O)CCC2)s1.
What is the InChIKey of 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is MAKGQLHCEKCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S2/c9-16(13,14)6-4-10-7(15-6)11-5-8(12)2-1-3-8/h4,12H,1-3,5H2,(H,10,11)(H2,9,13,14).
What are the key properties of 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide?
2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 263.34 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133329795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).