4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine

C13H21NOS — CID 64659709

IUPAC4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine
SMILESCC(N)CCS(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NOS/c1-10(2)12-4-6-13(7-5-12)16(15)9-8-11(3)14/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyHUTBFHJSOPCTNV-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.65
Rot. Bonds5

About 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine

4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine (PubChem CID 64659709) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine
PubChem CID64659709
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine
SMILESCC(N)CCS(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NOS/c1-10(2)12-4-6-13(7-5-12)16(15)9-8-11(3)14/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyHUTBFHJSOPCTNV-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-diethoxypropylsulfinyl)-4-propan-2-ylbenzene
CID 64641264
6-(4-chlorophenyl)sulfinylhexan-2-amine
CID 64659612
4-(3-methylphenyl)sulfinylbutan-2-amine
CID 64654610
5-(4-bromophenyl)sulfinylpentan-2-amine
CID 64653239
5-(4-propan-2-ylphenyl)sulfinylpentanenitrile
CID 63791236
4-(3-bromophenyl)sulfinylbutan-2-amine
CID 64660137
4-(4-propan-2-ylphenyl)sulfinylbutanoic acid
CID 61302941
5-(4-propan-2-ylphenyl)sulfinylpentanoic acid
CID 61302550
5-(4-propan-2-ylphenyl)hexan-2-amine
CID 83939090
3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol
CID 64900376
[2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine
CID 107120148
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine?
The IUPAC name of 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine (CID 64659709) is 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine?
The canonical SMILES for 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine is CC(N)CCS(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine?
The InChIKey is HUTBFHJSOPCTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(2)12-4-6-13(7-5-12)16(15)9-8-11(3)14/h4-7,10-11H,8-9,14H2,1-3H3.
What are the key properties of 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine?
4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine is sourced from PubChem (CID 64659709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).