4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine

C17H29NOS — CID 64651165

IUPAC4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCS(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NOS/c1-6-12-18-14(2)11-13-20(19)16-9-7-15(8-10-16)17(3,4)5/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyHJDZOJOQXNDZKJ-UHFFFAOYSA-N
MW295.49 g/mol
LogP3.87
Rot. Bonds7

About 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine

4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine (PubChem CID 64651165) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine
PubChem CID64651165
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCS(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NOS/c1-6-12-18-14(2)11-13-20(19)16-9-7-15(8-10-16)17(3,4)5/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyHJDZOJOQXNDZKJ-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-nitrophenyl)sulfinyl-N-propylpentan-2-amine
CID 64651446
4-tert-butylsulfinyl-N-propylbutan-2-amine
CID 64652778
6-(4-nitrophenyl)sulfinyl-N-propylhexan-2-amine
CID 64652461
N-[3-(4-tert-butylphenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64653845
4-methylsulfinyl-N-propylbutan-2-amine
CID 64657042
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-propylpentan-2-amine
CID 115479156
5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
CID 64657988
1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
CID 82100622
5-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652980
1-tert-butyl-4-[(4-tert-butylphenyl)sulfinylmethyl]benzene
CID 102104954
6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine (CID 64651165) is 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine is CCCNC(C)CCS(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine?
The InChIKey is HJDZOJOQXNDZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-6-12-18-14(2)11-13-20(19)16-9-7-15(8-10-16)17(3,4)5/h7-10,14,18H,6,11-13H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine?
4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine has a molecular weight of 295.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine is sourced from PubChem (CID 64651165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).