3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

C13H24ClN5O3S — CID 119513402

IUPAC3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCc1nc(S(=O)(=O)NCCC(=O)NCC2CCCN2)cn1C.Cl
InChIInChI=1S/C13H23N5O3S.ClH/c1-10-17-13(9-18(10)2)22(20,21)16-7-5-12(19)15-8-11-4-3-6-14-11;/h9,11,14,16H,3-8H2,1-2H3,(H,15,19);1H
InChIKeyHIGBEQXEKFPKFL-UHFFFAOYSA-N
MW365.89 g/mol
LogP-0.31
Rot. Bonds7

About 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119513402) has the molecular formula C13H24ClN5O3S and a molecular weight of 365.89 g/mol. Its IUPAC name is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID119513402
Molecular FormulaC13H24ClN5O3S
Molecular Weight365.89 g/mol
Exact Mass365.13
IUPAC Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCc1nc(S(=O)(=O)NCCC(=O)NCC2CCCN2)cn1C.Cl
InChIInChI=1S/C13H23N5O3S.ClH/c1-10-17-13(9-18(10)2)22(20,21)16-7-5-12(19)15-8-11-4-3-6-14-11;/h9,11,14,16H,3-8H2,1-2H3,(H,15,19);1H
InChIKeyHIGBEQXEKFPKFL-UHFFFAOYSA-N
XLogP-0.31
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
CID 119452987
1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride
CID 119545803
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 119647259
N-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 86951270
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 62541638
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513490
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119509840
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
CID 120723340
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119512891

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 119513402) is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is Cc1nc(S(=O)(=O)NCCC(=O)NCC2CCCN2)cn1C.Cl.
What is the InChIKey of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is HIGBEQXEKFPKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S.ClH/c1-10-17-13(9-18(10)2)22(20,21)16-7-5-12(19)15-8-11-4-3-6-14-11;/h9,11,14,16H,3-8H2,1-2H3,(H,15,19);1H.
What are the key properties of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119513402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).