3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane

C11H28N2O4S — CID 145415812

IUPAC3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane
SMILESCC.CCCNS(=O)(=O)CCCNC(CO)CO
InChIInChI=1S/C9H22N2O4S.C2H6/c1-2-4-11-16(14,15)6-3-5-10-9(7-12)8-13;1-2/h9-13H,2-8H2,1H3;1-2H3
InChIKeySNQCAUUTCBRSIY-UHFFFAOYSA-N
MW284.42 g/mol
LogP-0.33
Rot. Bonds10

About 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane

3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane (PubChem CID 145415812) has the molecular formula C11H28N2O4S and a molecular weight of 284.42 g/mol. Its IUPAC name is 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane.

Molecular Properties

Compound Name3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane
PubChem CID145415812
Molecular FormulaC11H28N2O4S
Molecular Weight284.42 g/mol
Exact Mass284.18
IUPAC Name3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane
SMILESCC.CCCNS(=O)(=O)CCCNC(CO)CO
InChIInChI=1S/C9H22N2O4S.C2H6/c1-2-4-11-16(14,15)6-3-5-10-9(7-12)8-13;1-2/h9-13H,2-8H2,1H3;1-2H3
InChIKeySNQCAUUTCBRSIY-UHFFFAOYSA-N
XLogP-0.33
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane?
The IUPAC name of 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane (CID 145415812) is 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane.
What is the SMILES notation for 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane?
The canonical SMILES for 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane is CC.CCCNS(=O)(=O)CCCNC(CO)CO.
What is the InChIKey of 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane?
The InChIKey is SNQCAUUTCBRSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S.C2H6/c1-2-4-11-16(14,15)6-3-5-10-9(7-12)8-13;1-2/h9-13H,2-8H2,1H3;1-2H3.
What are the key properties of 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane?
3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane has a molecular weight of 284.42 g/mol, XLogP of -0.33, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane is sourced from PubChem (CID 145415812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).