3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride

C9H18ClN5O2S — CID 120876392

IUPAC3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1nncc1S(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C9H17N5O2S.ClH/c1-14-9(7-11-13-14)17(15,16)12-6-4-8-3-2-5-10-8;/h7-8,10,12H,2-6H2,1H3;1H/t8-;/m1./s1
InChIKeyLQFNHIDJKYWXBC-DDWIOCJRSA-N
MW295.80 g/mol
LogP-0.34
Rot. Bonds5

About 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride

3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride (PubChem CID 120876392) has the molecular formula C9H18ClN5O2S and a molecular weight of 295.80 g/mol. Its IUPAC name is 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
PubChem CID120876392
Molecular FormulaC9H18ClN5O2S
Molecular Weight295.80 g/mol
Exact Mass295.09
IUPAC Name3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1nncc1S(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C9H17N5O2S.ClH/c1-14-9(7-11-13-14)17(15,16)12-6-4-8-3-2-5-10-8;/h7-8,10,12H,2-6H2,1H3;1H/t8-;/m1./s1
InChIKeyLQFNHIDJKYWXBC-DDWIOCJRSA-N
XLogP-0.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
CID 114794170
4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide
CID 106315491
5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide
CID 106467162
3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide
CID 120876611
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
CID 120723340
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723520
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328359
2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide
CID 104710228

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride (CID 120876392) is 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride is Cl.Cn1nncc1S(=O)(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride?
The InChIKey is LQFNHIDJKYWXBC-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H17N5O2S.ClH/c1-14-9(7-11-13-14)17(15,16)12-6-4-8-3-2-5-10-8;/h7-8,10,12H,2-6H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride?
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride has a molecular weight of 295.80 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120876392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).