N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide

C15H22N2O2S2 — CID 61300366

IUPACN-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C15H22N2O2S2/c16-13-4-14(20-8-13)21(18,19)17-9-15-5-10-1-11(6-15)3-12(2-10)7-15/h4,8,10-12,17H,1-3,5-7,9,16H2
InChIKeyAJLPVEGPFGUPNO-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.83
Rot. Bonds4

About N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide

N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide (PubChem CID 61300366) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide
PubChem CID61300366
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC NameN-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C15H22N2O2S2/c16-13-4-14(20-8-13)21(18,19)17-9-15-5-10-1-11(6-15)3-12(2-10)7-15/h4,8,10-12,17H,1-3,5-7,9,16H2
InChIKeyAJLPVEGPFGUPNO-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide?
The IUPAC name of N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide (CID 61300366) is N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide is Nc1csc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide?
The InChIKey is AJLPVEGPFGUPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c16-13-4-14(20-8-13)21(18,19)17-9-15-5-10-1-11(6-15)3-12(2-10)7-15/h4,8,10-12,17H,1-3,5-7,9,16H2.
What are the key properties of N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide?
N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide has a molecular weight of 326.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide is sourced from PubChem (CID 61300366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).