3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol

C10H23NO3S — CID 106723970

IUPAC3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
SMILESCCCS(=O)(=O)CCNC(CO)C(C)C
InChIInChI=1S/C10H23NO3S/c1-4-6-15(13,14)7-5-11-10(8-12)9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyGEPZHUSXDUPBQX-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.42
Rot. Bonds8

About 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol

3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol (PubChem CID 106723970) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
PubChem CID106723970
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
SMILESCCCS(=O)(=O)CCNC(CO)C(C)C
InChIInChI=1S/C10H23NO3S/c1-4-6-15(13,14)7-5-11-10(8-12)9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyGEPZHUSXDUPBQX-UHFFFAOYSA-N
XLogP0.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
CID 106723969
3-(2-propylsulfonylethylamino)butan-1-ol
CID 106724270
2-methyl-N-propyl-7-propylsulfonylheptan-3-amine
CID 106732296
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 104578137
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
(2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol
CID 165355432
2-(2-ethylsulfonylethylamino)propanoic acid
CID 43808018
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol?
The IUPAC name of 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol (CID 106723970) is 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol?
The canonical SMILES for 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol is CCCS(=O)(=O)CCNC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol?
The InChIKey is GEPZHUSXDUPBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-6-15(13,14)7-5-11-10(8-12)9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol?
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol has a molecular weight of 237.36 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol is sourced from PubChem (CID 106723970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).