N'-(1-morpholin-3-ylpropyl)methanedisulfonamide

C8H19N3O5S2 — CID 21271199

IUPACN'-(1-morpholin-3-ylpropyl)methanedisulfonamide
SMILESCCC(NS(=O)(=O)CS(N)(=O)=O)C1COCCN1
InChIInChI=1S/C8H19N3O5S2/c1-2-7(8-5-16-4-3-10-8)11-18(14,15)6-17(9,12)13/h7-8,10-11H,2-6H2,1H3,(H2,9,12,13)
InChIKeyBPVUMWSPRLWQMB-UHFFFAOYSA-N
MW301.39 g/mol
LogP-2.08
Rot. Bonds6

About N'-(1-morpholin-3-ylpropyl)methanedisulfonamide

N'-(1-morpholin-3-ylpropyl)methanedisulfonamide (PubChem CID 21271199) has the molecular formula C8H19N3O5S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N'-(1-morpholin-3-ylpropyl)methanedisulfonamide.

Molecular Properties

Compound NameN'-(1-morpholin-3-ylpropyl)methanedisulfonamide
PubChem CID21271199
Molecular FormulaC8H19N3O5S2
Molecular Weight301.39 g/mol
Exact Mass301.08
IUPAC NameN'-(1-morpholin-3-ylpropyl)methanedisulfonamide
SMILESCCC(NS(=O)(=O)CS(N)(=O)=O)C1COCCN1
InChIInChI=1S/C8H19N3O5S2/c1-2-7(8-5-16-4-3-10-8)11-18(14,15)6-17(9,12)13/h7-8,10-11H,2-6H2,1H3,(H2,9,12,13)
InChIKeyBPVUMWSPRLWQMB-UHFFFAOYSA-N
XLogP-2.08
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(1-morpholin-3-ylpropyl)methanedisulfonamide?
The IUPAC name of N'-(1-morpholin-3-ylpropyl)methanedisulfonamide (CID 21271199) is N'-(1-morpholin-3-ylpropyl)methanedisulfonamide.
What is the SMILES notation for N'-(1-morpholin-3-ylpropyl)methanedisulfonamide?
The canonical SMILES for N'-(1-morpholin-3-ylpropyl)methanedisulfonamide is CCC(NS(=O)(=O)CS(N)(=O)=O)C1COCCN1.
What is the InChIKey of N'-(1-morpholin-3-ylpropyl)methanedisulfonamide?
The InChIKey is BPVUMWSPRLWQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O5S2/c1-2-7(8-5-16-4-3-10-8)11-18(14,15)6-17(9,12)13/h7-8,10-11H,2-6H2,1H3,(H2,9,12,13).
What are the key properties of N'-(1-morpholin-3-ylpropyl)methanedisulfonamide?
N'-(1-morpholin-3-ylpropyl)methanedisulfonamide has a molecular weight of 301.39 g/mol, XLogP of -2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-morpholin-3-ylpropyl)methanedisulfonamide is sourced from PubChem (CID 21271199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).