4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol

C14H24N2O3S — CID 83926933

IUPAC4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol
SMILESCNC(CCN)C(O)c1cccc(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-10(2)20(18,19)12-6-4-5-11(9-12)14(17)13(16-3)7-8-15/h4-6,9-10,13-14,16-17H,7-8,15H2,1-3H3
InChIKeyWTWALOCQOANLCO-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.84
Rot. Bonds7

About 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol

4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol (PubChem CID 83926933) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol
PubChem CID83926933
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol
SMILESCNC(CCN)C(O)c1cccc(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-10(2)20(18,19)12-6-4-5-11(9-12)14(17)13(16-3)7-8-15/h4-6,9-10,13-14,16-17H,7-8,15H2,1-3H3
InChIKeyWTWALOCQOANLCO-UHFFFAOYSA-N
XLogP0.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diamino-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol
CID 83926931
3-(methylamino)-3-(3-propan-2-ylsulfonylphenyl)propan-1-ol
CID 83926943
N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide
CID 170830912
5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
CID 83927012
3-(3-propan-2-ylsulfonylphenyl)butanoic acid
CID 83957493
5-(3-propan-2-ylsulfonylphenyl)heptan-2-amine
CID 83926965
1-methylsulfonyl-3-propan-2-ylsulfonylbenzene
CID 12763283
3-propan-2-ylsulfonylphenol
CID 23588863
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol
CID 83934772
2-amino-4-(dimethylamino)-1-(3-methylsulfonylphenyl)butan-1-ol
CID 83926432

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol?
The IUPAC name of 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol (CID 83926933) is 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol.
What is the SMILES notation for 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol?
The canonical SMILES for 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol is CNC(CCN)C(O)c1cccc(S(=O)(=O)C(C)C)c1.
What is the InChIKey of 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol?
The InChIKey is WTWALOCQOANLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10(2)20(18,19)12-6-4-5-11(9-12)14(17)13(16-3)7-8-15/h4-6,9-10,13-14,16-17H,7-8,15H2,1-3H3.
What are the key properties of 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol?
4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol has a molecular weight of 300.42 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol is sourced from PubChem (CID 83926933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).