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

C15H28ClN5O3S — CID 119519816

IUPACN-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
SMILESCc1nc(S(=O)(=O)NCCC(=O)N2CCC(C(C)N)CC2)cn1C.Cl
InChIInChI=1S/C15H27N5O3S.ClH/c1-11(16)13-5-8-20(9-6-13)15(21)4-7-17-24(22,23)14-10-19(3)12(2)18-14;/h10-11,13,17H,4-9,16H2,1-3H3;1H
InChIKeyNUNWSAMTUSHSTN-UHFFFAOYSA-N
MW393.94 g/mol
LogP0.40
Rot. Bonds6

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

N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride (PubChem CID 119519816) has the molecular formula C15H28ClN5O3S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
PubChem CID119519816
Molecular FormulaC15H28ClN5O3S
Molecular Weight393.94 g/mol
Exact Mass393.16
IUPAC NameN-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
SMILESCc1nc(S(=O)(=O)NCCC(=O)N2CCC(C(C)N)CC2)cn1C.Cl
InChIInChI=1S/C15H27N5O3S.ClH/c1-11(16)13-5-8-20(9-6-13)15(21)4-7-17-24(22,23)14-10-19(3)12(2)18-14;/h10-11,13,17H,4-9,16H2,1-3H3;1H
InChIKeyNUNWSAMTUSHSTN-UHFFFAOYSA-N
XLogP0.40
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
(2R)-1-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370897
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-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119520090
N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 83031032
N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119571128
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
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119517349
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 119517350

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride (CID 119519816) is N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride is Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(C(C)N)CC2)cn1C.Cl.
What is the InChIKey of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride?
The InChIKey is NUNWSAMTUSHSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S.ClH/c1-11(16)13-5-8-20(9-6-13)15(21)4-7-17-24(22,23)14-10-19(3)12(2)18-14;/h10-11,13,17H,4-9,16H2,1-3H3;1H.
What are the key properties of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride?
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119519816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).