[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine

C16H24N2O2S — CID 114460479

IUPAC[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
SMILESCC(C)(C)C1=CCN(S(=O)(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)14-8-10-18(11-9-14)21(19,20)15-6-4-13(12-17)5-7-15/h4-8H,9-12,17H2,1-3H3
InChIKeyKPKDLUZYPJHMJN-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.51
Rot. Bonds3

About [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine

[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine (PubChem CID 114460479) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
PubChem CID114460479
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
SMILESCC(C)(C)C1=CCN(S(=O)(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)14-8-10-18(11-9-14)21(19,20)15-6-4-13(12-17)5-7-15/h4-8H,9-12,17H2,1-3H3
InChIKeyKPKDLUZYPJHMJN-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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]-2-methylaniline
CID 114459742
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
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine
CID 115774315
[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methanol
CID 114460972
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-chloroaniline
CID 114459734
[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 62204890
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine
CID 114459728
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]thiophene-2-carboxylic acid
CID 114459835
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanamine
CID 114491053

Frequently Asked Questions

What is the IUPAC name of [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
The IUPAC name of [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine (CID 114460479) is [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine is CC(C)(C)C1=CCN(S(=O)(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
The InChIKey is KPKDLUZYPJHMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,3)14-8-10-18(11-9-14)21(19,20)15-6-4-13(12-17)5-7-15/h4-8H,9-12,17H2,1-3H3.
What are the key properties of [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine has a molecular weight of 308.45 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine is sourced from PubChem (CID 114460479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).