5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine

C13H20N2O2S2 — CID 114459728

IUPAC5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine
SMILESCC(C)(C)C1=CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C13H20N2O2S2/c1-13(2,3)10-4-6-15(7-5-10)19(16,17)12-8-11(14)9-18-12/h4,8-9H,5-7,14H2,1-3H3
InChIKeyWZWUDMMWHPMVHE-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.70
Rot. Bonds2

About 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine

5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine (PubChem CID 114459728) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine.

Molecular Properties

Compound Name5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine
PubChem CID114459728
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine
SMILESCC(C)(C)C1=CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C13H20N2O2S2/c1-13(2,3)10-4-6-15(7-5-10)19(16,17)12-8-11(14)9-18-12/h4,8-9H,5-7,14H2,1-3H3
InChIKeyWZWUDMMWHPMVHE-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-methylaniline
CID 114459742
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-chloroaniline
CID 114459734
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-fluoroaniline
CID 114459716
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloroaniline
CID 114460480
4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 153307532
[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 114460479
2-[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethanol
CID 114460980
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol
CID 102750275
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 114459835
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine
CID 61300720
1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine?
The IUPAC name of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine (CID 114459728) is 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine.
What is the SMILES notation for 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine?
The canonical SMILES for 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine is CC(C)(C)C1=CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine?
The InChIKey is WZWUDMMWHPMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-13(2,3)10-4-6-15(7-5-10)19(16,17)12-8-11(14)9-18-12/h4,8-9H,5-7,14H2,1-3H3.
What are the key properties of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine?
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine has a molecular weight of 300.45 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine is sourced from PubChem (CID 114459728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).