1-amino-4-propylsulfonylbutan-2-ol

C7H17NO3S — CID 106734192

IUPAC1-amino-4-propylsulfonylbutan-2-ol
SMILESCCCS(=O)(=O)CCC(O)CN
InChIInChI=1S/C7H17NO3S/c1-2-4-12(10,11)5-3-7(9)6-8/h7,9H,2-6,8H2,1H3
InChIKeyASJFKLNKZIGZDI-UHFFFAOYSA-N
MW195.28 g/mol
LogP-0.48
Rot. Bonds6

About 1-amino-4-propylsulfonylbutan-2-ol

1-amino-4-propylsulfonylbutan-2-ol (PubChem CID 106734192) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-amino-4-propylsulfonylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-propylsulfonylbutan-2-ol
PubChem CID106734192
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name1-amino-4-propylsulfonylbutan-2-ol
SMILESCCCS(=O)(=O)CCC(O)CN
InChIInChI=1S/C7H17NO3S/c1-2-4-12(10,11)5-3-7(9)6-8/h7,9H,2-6,8H2,1H3
InChIKeyASJFKLNKZIGZDI-UHFFFAOYSA-N
XLogP-0.48
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-propylsulfonylbutan-1-amine
CID 106729541
1-aminohexan-2-ol;propane-1-sulfonic acid
CID 175457204
1-propylsulfonylpropane
CID 11709
7-propylsulfonylheptan-3-ol
CID 106732439
1-aminotetradecan-2-ol;sulfuric acid
CID 158919972
2-propylsulfonylethanamine;hydrochloride
CID 87608994
1-aminopentan-2-ol;1-aminopentan-2-one
CID 143109890
3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
CID 106734029
3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol
CID 106734425
4-methyl-6-propylsulfonylhexan-2-one
CID 106732166
(2R)-1-aminooctan-2-ol
CID 13476237
1-aminohenicosan-2-ol
CID 88605177

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-propylsulfonylbutan-2-ol?
The IUPAC name of 1-amino-4-propylsulfonylbutan-2-ol (CID 106734192) is 1-amino-4-propylsulfonylbutan-2-ol.
What is the SMILES notation for 1-amino-4-propylsulfonylbutan-2-ol?
The canonical SMILES for 1-amino-4-propylsulfonylbutan-2-ol is CCCS(=O)(=O)CCC(O)CN.
What is the InChIKey of 1-amino-4-propylsulfonylbutan-2-ol?
The InChIKey is ASJFKLNKZIGZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-2-4-12(10,11)5-3-7(9)6-8/h7,9H,2-6,8H2,1H3.
What are the key properties of 1-amino-4-propylsulfonylbutan-2-ol?
1-amino-4-propylsulfonylbutan-2-ol has a molecular weight of 195.28 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-propylsulfonylbutan-2-ol is sourced from PubChem (CID 106734192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).