[3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone

C18H25N3O2S — CID 136561554

IUPAC[3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone
SMILESCn1ccc2c(C(=O)N3CCCC(CN=S(C)(C)=O)C3)cccc21
InChIInChI=1S/C18H25N3O2S/c1-20-11-9-15-16(7-4-8-17(15)20)18(22)21-10-5-6-14(13-21)12-19-24(2,3)23/h4,7-9,11,14H,5-6,10,12-13H2,1-3H3
InChIKeyHSZAONGFDFUHGD-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.76
Rot. Bonds3

About [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone

[3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone (PubChem CID 136561554) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone.

Molecular Properties

Compound Name[3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone
PubChem CID136561554
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name[3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone
SMILESCn1ccc2c(C(=O)N3CCCC(CN=S(C)(C)=O)C3)cccc21
InChIInChI=1S/C18H25N3O2S/c1-20-11-9-15-16(7-4-8-17(15)20)18(22)21-10-5-6-14(13-21)12-19-24(2,3)23/h4,7-9,11,14H,5-6,10,12-13H2,1-3H3
InChIKeyHSZAONGFDFUHGD-UHFFFAOYSA-N
XLogP2.76
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone?
The IUPAC name of [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone (CID 136561554) is [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone.
What is the SMILES notation for [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone?
The canonical SMILES for [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone is Cn1ccc2c(C(=O)N3CCCC(CN=S(C)(C)=O)C3)cccc21.
What is the InChIKey of [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone?
The InChIKey is HSZAONGFDFUHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-20-11-9-15-16(7-4-8-17(15)20)18(22)21-10-5-6-14(13-21)12-19-24(2,3)23/h4,7-9,11,14H,5-6,10,12-13H2,1-3H3.
What are the key properties of [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone?
[3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone has a molecular weight of 347.48 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]piperidin-1-yl]-(1-methylindol-4-yl)methanone is sourced from PubChem (CID 136561554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).