1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol

C12H27NO5S — CID 64643205

IUPAC1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(CS(C)(=O)=O)NCC(O)COCCOC(C)C
InChIInChI=1S/C12H27NO5S/c1-10(2)18-6-5-17-8-12(14)7-13-11(3)9-19(4,15)16/h10-14H,5-9H2,1-4H3
InChIKeyZVWPHPPURMLXAX-UHFFFAOYSA-N
MW297.42 g/mol
LogP-0.19
Rot. Bonds11

About 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 64643205) has the molecular formula C12H27NO5S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID64643205
Molecular FormulaC12H27NO5S
Molecular Weight297.42 g/mol
Exact Mass297.16
IUPAC Name1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(CS(C)(=O)=O)NCC(O)COCCOC(C)C
InChIInChI=1S/C12H27NO5S/c1-10(2)18-6-5-17-8-12(14)7-13-11(3)9-19(4,15)16/h10-14H,5-9H2,1-4H3
InChIKeyZVWPHPPURMLXAX-UHFFFAOYSA-N
XLogP-0.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64631835
1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 64631820
1-(pent-1-yn-3-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 114161170
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817
1-(ethoxyamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60702644
2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]oxyacetamide
CID 112673643
3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide
CID 106276148
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642037
1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64643980
1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642223
N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine
CID 64629394

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 64643205) is 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is CC(CS(C)(=O)=O)NCC(O)COCCOC(C)C.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is ZVWPHPPURMLXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO5S/c1-10(2)18-6-5-17-8-12(14)7-13-11(3)9-19(4,15)16/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 297.42 g/mol, XLogP of -0.19, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 64643205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).