4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol

C14H23NO3S — CID 64898401

IUPAC4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO3S/c1-3-9-15-13(8-10-16)11-19(17,18)14-6-4-12(2)5-7-14/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyYSNNKVNMPSULAH-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.52
Rot. Bonds8

About 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol

4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol (PubChem CID 64898401) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
PubChem CID64898401
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO3S/c1-3-9-15-13(8-10-16)11-19(17,18)14-6-4-12(2)5-7-14/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyYSNNKVNMPSULAH-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704
1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
CID 107508514
1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
CID 64674005
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
CID 169438793
N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine
CID 64639026
4-(2,5-dimethylphenyl)sulfonyl-3-(methylamino)butan-1-ol
CID 64898403
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64645556
1-(4-methylsulfonylphenyl)sulfonyl-N-propylpropan-2-amine
CID 64675887
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol
CID 64928528
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol (CID 64898401) is 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol is CCCNC(CCO)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol?
The InChIKey is YSNNKVNMPSULAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-9-15-13(8-10-16)11-19(17,18)14-6-4-12(2)5-7-14/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol?
4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol has a molecular weight of 285.41 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64898401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).