N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C17H21NO3S2 — CID 99981433

IUPACN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21NO3S2/c19-17(15-8-10-22-12-15)7-9-18-23(20,21)16-6-5-13-3-1-2-4-14(13)11-16/h5-6,8,10-12,17-19H,1-4,7,9H2/t17-/m0/s1
InChIKeyBGKAXXOUCQLUIA-KRWDZBQOSA-N
MW351.49 g/mol
LogP3.03
Rot. Bonds6

About N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 99981433) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID99981433
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC NameN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21NO3S2/c19-17(15-8-10-22-12-15)7-9-18-23(20,21)16-6-5-13-3-1-2-4-14(13)11-16/h5-6,8,10-12,17-19H,1-4,7,9H2/t17-/m0/s1
InChIKeyBGKAXXOUCQLUIA-KRWDZBQOSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

4-fluoro-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-3-methylbenzenesulfonamide
CID 56764044
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 86264144
(S)-1-(2-thienyl)-3-[m-(trifluoromethyl)phenylsulfonylamino]-1-propanol
CID 96350540
N-(3-hydroxy-3-(naphthalen-1-yl)propyl)thiophene-2-sulfonamide
CID 71787944
N-((5-(hydroxy(thiophen-3-yl)methyl)thiophen-2-yl)methyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 73167877
(E)-N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-phenylethenesulfonamide
CID 86264126
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-phenylethanesulfonamide
CID 86264127
(S)-3-(5,6,7,8-tetrahydro-2-naphthylsulfonylamino)-1-(2-thienyl)-1-propanol
CID 96350533
4-fluoro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)-2-methylbenzenesulfonamide
CID 71787851
N-(3-hydroxy-3-(thiophen-2-yl)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71787865
2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 75522004
4-fluoro-N-(3-hydroxy-3-(thiophen-3-yl)propyl)-3-methylbenzenesulfonamide
CID 86264128

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 99981433) is N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is BGKAXXOUCQLUIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO3S2/c19-17(15-8-10-22-12-15)7-9-18-23(20,21)16-6-5-13-3-1-2-4-14(13)11-16/h5-6,8,10-12,17-19H,1-4,7,9H2/t17-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 351.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 99981433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).