N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine

C16H26N6O2S — CID 72849584

IUPACN,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine
SMILESCN(C)CCn1ccnc1C1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C16H26N6O2S/c1-19(2)10-11-21-9-6-17-16(21)14-4-7-22(8-5-14)25(23,24)15-12-18-20(3)13-15/h6,9,12-14H,4-5,7-8,10-11H2,1-3H3
InChIKeyVKUKJHCYRZRKJN-UHFFFAOYSA-N
MW366.49 g/mol
LogP0.75
Rot. Bonds6

About N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine

N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine (PubChem CID 72849584) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine
PubChem CID72849584
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC NameN,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine
SMILESCN(C)CCn1ccnc1C1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C16H26N6O2S/c1-19(2)10-11-21-9-6-17-16(21)14-4-7-22(8-5-14)25(23,24)15-12-18-20(3)13-15/h6,9,12-14H,4-5,7-8,10-11H2,1-3H3
InChIKeyVKUKJHCYRZRKJN-UHFFFAOYSA-N
XLogP0.75
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine (CID 72849584) is N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine is CN(C)CCn1ccnc1C1CCN(S(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine?
The InChIKey is VKUKJHCYRZRKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-19(2)10-11-21-9-6-17-16(21)14-4-7-22(8-5-14)25(23,24)15-12-18-20(3)13-15/h6,9,12-14H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine?
N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine has a molecular weight of 366.49 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 72849584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).