5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide

C10H16N6O2S2 — CID 106051525

IUPAC5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCc2nn[nH]n2)s1
InChIInChI=1S/C10H16N6O2S2/c1-7(2)11-5-8-3-4-10(19-8)20(17,18)12-6-9-13-15-16-14-9/h3-4,7,11-12H,5-6H2,1-2H3,(H,13,14,15,16)
InChIKeyGCOHAULBFYKETL-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.24
Rot. Bonds7

About 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide

5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106051525) has the molecular formula C10H16N6O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide
PubChem CID106051525
Molecular FormulaC10H16N6O2S2
Molecular Weight316.41 g/mol
Exact Mass316.08
IUPAC Name5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCc2nn[nH]n2)s1
InChIInChI=1S/C10H16N6O2S2/c1-7(2)11-5-8-3-4-10(19-8)20(17,18)12-6-9-13-15-16-14-9/h3-4,7,11-12H,5-6H2,1-2H3,(H,13,14,15,16)
InChIKeyGCOHAULBFYKETL-UHFFFAOYSA-N
XLogP0.24
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
N-[(1-methylpyrazol-4-yl)methyl]-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106018225
5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106295869
N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106093680
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
5-[2-(propan-2-ylamino)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013449
N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063918
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]propan-2-amine
CID 66371891
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62157363
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide (CID 106051525) is 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)NCc2nn[nH]n2)s1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is GCOHAULBFYKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S2/c1-7(2)11-5-8-3-4-10(19-8)20(17,18)12-6-9-13-15-16-14-9/h3-4,7,11-12H,5-6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide?
5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 316.41 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106051525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).