5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol

C10H23NO3S — CID 106130368

IUPAC5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
SMILESCC(O)CCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)15(13,14)8-7-11-6-4-5-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyYBEDNRIFRNQDHL-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.56
Rot. Bonds8

About 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol

5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol (PubChem CID 106130368) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
PubChem CID106130368
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
SMILESCC(O)CCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)15(13,14)8-7-11-6-4-5-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyYBEDNRIFRNQDHL-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 114097748
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol?
The IUPAC name of 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol (CID 106130368) is 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol.
What is the SMILES notation for 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol?
The canonical SMILES for 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol is CC(O)CCCNCCS(=O)(=O)C(C)C.
What is the InChIKey of 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol?
The InChIKey is YBEDNRIFRNQDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2)15(13,14)8-7-11-6-4-5-10(3)12/h9-12H,4-8H2,1-3H3.
What are the key properties of 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol?
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol is sourced from PubChem (CID 106130368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).