N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide

C16H29N5O3S — CID 119647259

IUPACN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCCNCC1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1
InChIInChI=1S/C16H29N5O3S/c1-4-17-11-14-6-9-21(10-7-14)16(22)5-8-18-25(23,24)15-12-20(3)13(2)19-15/h12,14,17-18H,4-11H2,1-3H3
InChIKeyUJPRPDAOQVZXBD-UHFFFAOYSA-N
MW371.51 g/mol
LogP0.25
Rot. Bonds8

About N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 119647259) has the molecular formula C16H29N5O3S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID119647259
Molecular FormulaC16H29N5O3S
Molecular Weight371.51 g/mol
Exact Mass371.20
IUPAC NameN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCCNCC1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1
InChIInChI=1S/C16H29N5O3S/c1-4-17-11-14-6-9-21(10-7-14)16(22)5-8-18-25(23,24)15-12-20(3)13(2)19-15/h12,14,17-18H,4-11H2,1-3H3
InChIKeyUJPRPDAOQVZXBD-UHFFFAOYSA-N
XLogP0.25
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride
CID 119545803
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
CID 119519816
(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]benzenesulfonamide
CID 119647023
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride
CID 119647156
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661
N-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 86951270
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63877764
4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525732
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63877731
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
CID 119452987
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
CID 119448052

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide (CID 119647259) is N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide is CCNCC1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1.
What is the InChIKey of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is UJPRPDAOQVZXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O3S/c1-4-17-11-14-6-9-21(10-7-14)16(22)5-8-18-25(23,24)15-12-20(3)13(2)19-15/h12,14,17-18H,4-11H2,1-3H3.
What are the key properties of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 371.51 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 119647259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).