N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine

C14H24N4O2S — CID 63878417

IUPACN-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine
SMILESCc1nc(S(=O)(=O)N2CCCC(CNC3CC3)C2)cn1C
InChIInChI=1S/C14H24N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18-7-3-4-12(9-18)8-15-13-5-6-13/h10,12-13,15H,3-9H2,1-2H3
InChIKeyFSVBGEGMAZOKFU-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.88
Rot. Bonds5

About N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine

N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine (PubChem CID 63878417) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine
PubChem CID63878417
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine
SMILESCc1nc(S(=O)(=O)N2CCCC(CNC3CC3)C2)cn1C
InChIInChI=1S/C14H24N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18-7-3-4-12(9-18)8-15-13-5-6-13/h10,12-13,15H,3-9H2,1-2H3
InChIKeyFSVBGEGMAZOKFU-UHFFFAOYSA-N
XLogP0.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63877731
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63878413
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]propanoic acid
CID 62062092
3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993255
2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258223
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63878245
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63877764
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62066251
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960889

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine (CID 63878417) is N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine is Cc1nc(S(=O)(=O)N2CCCC(CNC3CC3)C2)cn1C.
What is the InChIKey of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is FSVBGEGMAZOKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18-7-3-4-12(9-18)8-15-13-5-6-13/h10,12-13,15H,3-9H2,1-2H3.
What are the key properties of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 312.44 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63878417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).