3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine

C17H25N3O2S — CID 170159150

IUPAC3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine
SMILESCc1cccc2ccn(C3CCN(S(=O)(=O)CCCN)CC3)c12
InChIInChI=1S/C17H25N3O2S/c1-14-4-2-5-15-6-12-20(17(14)15)16-7-10-19(11-8-16)23(21,22)13-3-9-18/h2,4-6,12,16H,3,7-11,13,18H2,1H3
InChIKeyYOIUMMFELJGGMY-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.27
Rot. Bonds5

About 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine

3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine (PubChem CID 170159150) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine
PubChem CID170159150
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine
SMILESCc1cccc2ccn(C3CCN(S(=O)(=O)CCCN)CC3)c12
InChIInChI=1S/C17H25N3O2S/c1-14-4-2-5-15-6-12-20(17(14)15)16-7-10-19(11-8-16)23(21,22)13-3-9-18/h2,4-6,12,16H,3,7-11,13,18H2,1H3
InChIKeyYOIUMMFELJGGMY-UHFFFAOYSA-N
XLogP2.27
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine?
The IUPAC name of 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine (CID 170159150) is 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine is Cc1cccc2ccn(C3CCN(S(=O)(=O)CCCN)CC3)c12.
What is the InChIKey of 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine?
The InChIKey is YOIUMMFELJGGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-14-4-2-5-15-6-12-20(17(14)15)16-7-10-19(11-8-16)23(21,22)13-3-9-18/h2,4-6,12,16H,3,7-11,13,18H2,1H3.
What are the key properties of 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine?
3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine has a molecular weight of 335.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-methylindol-1-yl)piperidin-1-yl]sulfonylpropan-1-amine is sourced from PubChem (CID 170159150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).