N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

C12H17N3O3S2 — CID 106423820

IUPACN-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCc2ccno2)s1
InChIInChI=1S/C12H17N3O3S2/c1-9(2)13-8-11-3-4-12(19-11)20(16,17)15-7-10-5-6-14-18-10/h3-6,9,13,15H,7-8H2,1-2H3
InChIKeyJEGQHBZUBWGVQY-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.71
Rot. Bonds7

About N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 106423820) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID106423820
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCc2ccno2)s1
InChIInChI=1S/C12H17N3O3S2/c1-9(2)13-8-11-3-4-12(19-11)20(16,17)15-7-10-5-6-14-18-10/h3-6,9,13,15H,7-8H2,1-2H3
InChIKeyJEGQHBZUBWGVQY-UHFFFAOYSA-N
XLogP1.71
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
CID 103940604
N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106424030
N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106420018
5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106051525
5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106295869
2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106423889
N-[(1-methylpyrazol-4-yl)methyl]-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106018225
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106093680
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063918

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 106423820) is N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)NCc2ccno2)s1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is JEGQHBZUBWGVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-9(2)13-8-11-3-4-12(19-11)20(16,17)15-7-10-5-6-14-18-10/h3-6,9,13,15H,7-8H2,1-2H3.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106423820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).