1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine

C20H31N3O2S — CID 18349544

IUPAC1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
SMILESCC(C)(CS(=O)(=O)c1ccc(C(C)(C)C)cc1)NCCCn1ccnc1
InChIInChI=1S/C20H31N3O2S/c1-19(2,3)17-7-9-18(10-8-17)26(24,25)15-20(4,5)22-11-6-13-23-14-12-21-16-23/h7-10,12,14,16,22H,6,11,13,15H2,1-5H3
InChIKeyUDAZLRWEJJPFHZ-UHFFFAOYSA-N
MW377.55 g/mol
LogP3.41
Rot. Bonds8

About 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine

1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine (PubChem CID 18349544) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
PubChem CID18349544
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
SMILESCC(C)(CS(=O)(=O)c1ccc(C(C)(C)C)cc1)NCCCn1ccnc1
InChIInChI=1S/C20H31N3O2S/c1-19(2,3)17-7-9-18(10-8-17)26(24,25)15-20(4,5)22-11-6-13-23-14-12-21-16-23/h7-10,12,14,16,22H,6,11,13,15H2,1-5H3
InChIKeyUDAZLRWEJJPFHZ-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-N,N-dipropylbenzenesulfonamide
CID 18349761
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine
CID 19429444
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 18349562
N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide
CID 166360372
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
CID 18349625
2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]pentanoic acid
CID 67612775
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
4-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethylsulfamoyl]-N-methylbenzamide
CID 18349778
N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine
CID 146436404

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine (CID 18349544) is 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine is CC(C)(CS(=O)(=O)c1ccc(C(C)(C)C)cc1)NCCCn1ccnc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine?
The InChIKey is UDAZLRWEJJPFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-19(2,3)17-7-9-18(10-8-17)26(24,25)15-20(4,5)22-11-6-13-23-14-12-21-16-23/h7-10,12,14,16,22H,6,11,13,15H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine?
1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine has a molecular weight of 377.55 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 18349544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).