1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol

C10H23NO3S — CID 115476685

IUPAC1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCS(=O)(=O)CC(O)CNC(C)C
InChIInChI=1S/C10H23NO3S/c1-4-5-6-15(13,14)8-10(12)7-11-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyXCFKMLUUBTZPBS-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.56
Rot. Bonds8

About 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol

1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 115476685) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID115476685
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCS(=O)(=O)CC(O)CNC(C)C
InChIInChI=1S/C10H23NO3S/c1-4-5-6-15(13,14)8-10(12)7-11-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyXCFKMLUUBTZPBS-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

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Related Compounds

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1-ethylsulfonylnonan-4-ol
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1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 43294743
N-methyl-1-pentylsulfonylpropan-2-amine
CID 107758535
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
1-(benzenesulfonyl)-3-(propan-2-ylamino)propan-2-ol
CID 113317915
1-octan-2-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 43166238
1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 43165831
N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide
CID 165449742
1-butylsulfonylethanol
CID 57246479

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol (CID 115476685) is 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol is CCCCS(=O)(=O)CC(O)CNC(C)C.
What is the InChIKey of 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is XCFKMLUUBTZPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-5-6-15(13,14)8-10(12)7-11-9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol?
1-butylsulfonyl-3-(propan-2-ylamino)propan-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 1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 115476685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).