3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol

C14H23NO2S — CID 64900376

IUPAC3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol
SMILESCNC(CCO)CS(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NO2S/c1-11(2)12-4-6-14(7-5-12)18(17)10-13(15-3)8-9-16/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyWAGOPXHAYXABQP-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.89
Rot. Bonds7

About 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol

3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol (PubChem CID 64900376) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol
PubChem CID64900376
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol
SMILESCNC(CCO)CS(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NO2S/c1-11(2)12-4-6-14(7-5-12)18(17)10-13(15-3)8-9-16/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyWAGOPXHAYXABQP-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol
CID 64898224
3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
CID 64900182
4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine
CID 64659709
4-benzylsulfinyl-3-(methylamino)butan-1-ol
CID 64898646
2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide
CID 167474223
1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine
CID 107508710
1-methoxy-3-(4-propan-2-ylphenyl)sulfinylpropan-2-one
CID 107511642
4-(3,4-difluorophenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64897808
1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine
CID 107508704
4-(4-propan-2-ylphenyl)sulfinylbutanoic acid
CID 61302941
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol?
The IUPAC name of 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol (CID 64900376) is 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol?
The canonical SMILES for 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol is CNC(CCO)CS(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol?
The InChIKey is WAGOPXHAYXABQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(2)12-4-6-14(7-5-12)18(17)10-13(15-3)8-9-16/h4-7,11,13,15-16H,8-10H2,1-3H3.
What are the key properties of 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol?
3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol is sourced from PubChem (CID 64900376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).