N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide

C14H15NO5S2 — CID 97042808

IUPACN-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1cccs1
InChIInChI=1S/C14H15NO5S2/c16-11(10-3-4-12-13(8-10)20-9-19-12)5-6-15-22(17,18)14-2-1-7-21-14/h1-4,7-8,11,15-16H,5-6,9H2/t11-/m1/s1
InChIKeyUUMDEXCPAPKBDY-LLVKDONJSA-N
MW341.41 g/mol
LogP1.88
Rot. Bonds6

About N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide

N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide (PubChem CID 97042808) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
PubChem CID97042808
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC NameN-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1cccs1
InChIInChI=1S/C14H15NO5S2/c16-11(10-3-4-12-13(8-10)20-9-19-12)5-6-15-22(17,18)14-2-1-7-21-14/h1-4,7-8,11,15-16H,5-6,9H2/t11-/m1/s1
InChIKeyUUMDEXCPAPKBDY-LLVKDONJSA-N
XLogP1.88
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 71804346
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
CID 71804352
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
N-[(3S)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-methylbenzenesulfonamide
CID 97042809
N-[1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 52533981
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 97042822
1-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804381
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]thiophene-2-sulfonamide
CID 7285998
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71806437
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-2-methoxyacetamide
CID 121132365
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide (CID 97042808) is N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide is O=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1cccs1.
What is the InChIKey of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
The InChIKey is UUMDEXCPAPKBDY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15NO5S2/c16-11(10-3-4-12-13(8-10)20-9-19-12)5-6-15-22(17,18)14-2-1-7-21-14/h1-4,7-8,11,15-16H,5-6,9H2/t11-/m1/s1.
What are the key properties of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97042808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).