3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol

C10H23NO3S — CID 106724525

IUPAC3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol
SMILESCCCS(=O)(=O)CCNC(C)(C)C(C)O
InChIInChI=1S/C10H23NO3S/c1-5-7-15(13,14)8-6-11-10(3,4)9(2)12/h9,11-12H,5-8H2,1-4H3
InChIKeyDRJBTXRXHIPDTD-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.56
Rot. Bonds7

About 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol

3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol (PubChem CID 106724525) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol
PubChem CID106724525
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol
SMILESCCCS(=O)(=O)CCNC(C)(C)C(C)O
InChIInChI=1S/C10H23NO3S/c1-5-7-15(13,14)8-6-11-10(3,4)9(2)12/h9,11-12H,5-8H2,1-4H3
InChIKeyDRJBTXRXHIPDTD-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine
CID 106731043
3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
CID 106734029
1-propylsulfonylpropane
CID 11709
3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine
CID 106731053
2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine
CID 107757784
3-(2-propylsulfonylethylamino)butan-1-ol
CID 106724270
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
N-(2-propylsulfonylethyl)acetamide
CID 142065321
3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 104578137
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
CID 106730349
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol?
The IUPAC name of 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol (CID 106724525) is 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol?
The canonical SMILES for 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol is CCCS(=O)(=O)CCNC(C)(C)C(C)O.
What is the InChIKey of 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol?
The InChIKey is DRJBTXRXHIPDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-7-15(13,14)8-6-11-10(3,4)9(2)12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol?
3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol is sourced from PubChem (CID 106724525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).