N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

C10H16N2O5S2 — CID 65315408

IUPACN-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NC(CO)CO
InChIInChI=1S/C10H16N2O5S2/c13-6-8(7-14)12-9(15)3-4-11-19(16,17)10-2-1-5-18-10/h1-2,5,8,11,13-14H,3-4,6-7H2,(H,12,15)
InChIKeyVLXVIAHTOFJWAF-UHFFFAOYSA-N
MW308.38 g/mol
LogP-1.11
Rot. Bonds8

About N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 65315408) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID65315408
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NC(CO)CO
InChIInChI=1S/C10H16N2O5S2/c13-6-8(7-14)12-9(15)3-4-11-19(16,17)10-2-1-5-18-10/h1-2,5,8,11,13-14H,3-4,6-7H2,(H,12,15)
InChIKeyVLXVIAHTOFJWAF-UHFFFAOYSA-N
XLogP-1.11
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 103850899
N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115283498
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
3-methyl-4-[3-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 81065023
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 18116342
N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
CID 83202524
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 40720173
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 65315408) is N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccs1)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is VLXVIAHTOFJWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c13-6-8(7-14)12-9(15)3-4-11-19(16,17)10-2-1-5-18-10/h1-2,5,8,11,13-14H,3-4,6-7H2,(H,12,15).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 308.38 g/mol, XLogP of -1.11, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 65315408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).