1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide

C10H17N3O3S — CID 115324014

IUPAC1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCC2CNCCO2)c1
InChIInChI=1S/C10H17N3O3S/c1-13-4-2-10(8-13)17(14,15)12-7-9-6-11-3-5-16-9/h2,4,8-9,11-12H,3,5-7H2,1H3
InChIKeySWHKVMNQEBZUAZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.71
Rot. Bonds4

About 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide

1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide (PubChem CID 115324014) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide
PubChem CID115324014
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCC2CNCCO2)c1
InChIInChI=1S/C10H17N3O3S/c1-13-4-2-10(8-13)17(14,15)12-7-9-6-11-3-5-16-9/h2,4,8-9,11-12H,3,5-7H2,1H3
InChIKeySWHKVMNQEBZUAZ-UHFFFAOYSA-N
XLogP-0.71
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323988
N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 115323924
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323952
4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 106999010
4-nitro-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 165494024
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 116527974
2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
CID 115323961
1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide
CID 60894937
5-bromo-4-chloro-N-(morpholin-2-ylmethyl)thiophene-2-sulfonamide
CID 115323934
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
N-(morpholin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593928

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide (CID 115324014) is 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NCC2CNCCO2)c1.
What is the InChIKey of 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide?
The InChIKey is SWHKVMNQEBZUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-13-4-2-10(8-13)17(14,15)12-7-9-6-11-3-5-16-9/h2,4,8-9,11-12H,3,5-7H2,1H3.
What are the key properties of 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide?
1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 115324014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).