3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide

C12H21N5O3S — CID 119452987

IUPAC3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)NC2CCNC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-9-15-12(8-17(9)2)21(19,20)14-6-4-11(18)16-10-3-5-13-7-10/h8,10,13-14H,3-7H2,1-2H3,(H,16,18)
InChIKeyPTQBRKYUUUKUBE-UHFFFAOYSA-N
MW315.40 g/mol
LogP-1.12
Rot. Bonds6

About 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide (PubChem CID 119452987) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
PubChem CID119452987
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)NC2CCNC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-9-15-12(8-17(9)2)21(19,20)14-6-4-11(18)16-10-3-5-13-7-10/h8,10,13-14H,3-7H2,1-2H3,(H,16,18)
InChIKeyPTQBRKYUUUKUBE-UHFFFAOYSA-N
XLogP-1.12
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
CID 119448052
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513402
N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide
CID 119616424
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661
N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119571128
(2R)-1-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370897
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 119647259
1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride
CID 119545803
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
CID 119449677
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
CID 119519816
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 62062084
N-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 86951270

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide (CID 119452987) is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide is Cc1nc(S(=O)(=O)NCCC(=O)NC2CCNC2)cn1C.
What is the InChIKey of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide?
The InChIKey is PTQBRKYUUUKUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-9-15-12(8-17(9)2)21(19,20)14-6-4-11(18)16-10-3-5-13-7-10/h8,10,13-14H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide?
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide has a molecular weight of 315.40 g/mol, XLogP of -1.12, 6 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-3-ylpropanamide is sourced from PubChem (CID 119452987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).