3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide

C16H20N2O2S2 — CID 146145030

IUPAC3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1CNCC1CCc2ccccc2C1
InChIInChI=1S/C16H20N2O2S2/c17-22(19,20)16-15(7-8-21-16)11-18-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-4,7-8,12,18H,5-6,9-11H2,(H2,17,19,20)
InChIKeyPWYVXKMDWWTLAN-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.29
Rot. Bonds5

About 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide

3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide (PubChem CID 146145030) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide
PubChem CID146145030
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1CNCC1CCc2ccccc2C1
InChIInChI=1S/C16H20N2O2S2/c17-22(19,20)16-15(7-8-21-16)11-18-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-4,7-8,12,18H,5-6,9-11H2,(H2,17,19,20)
InChIKeyPWYVXKMDWWTLAN-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide (CID 146145030) is 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide is NS(=O)(=O)c1sccc1CNCC1CCc2ccccc2C1.
What is the InChIKey of 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is PWYVXKMDWWTLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c17-22(19,20)16-15(7-8-21-16)11-18-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-4,7-8,12,18H,5-6,9-11H2,(H2,17,19,20).
What are the key properties of 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide?
3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 146145030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).