[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C15H18N2O2S — CID 46889917

IUPAC[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21
InChIInChI=1S/C15H18N2O2S/c16-9-12-3-1-2-11-8-13(4-5-15(11)12)20(18,19)14-6-7-17-10-14/h4-8,10,12,17H,1-3,9,16H2/t12-/m0/s1
InChIKeyLKMQZMYQTGQFSV-LBPRGKRZSA-N
MW290.39 g/mol
LogP2.23
Rot. Bonds3

About [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 46889917) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID46889917
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21
InChIInChI=1S/C15H18N2O2S/c16-9-12-3-1-2-11-8-13(4-5-15(11)12)20(18,19)14-6-7-17-10-14/h4-8,10,12,17H,1-3,9,16H2/t12-/m0/s1
InChIKeyLKMQZMYQTGQFSV-LBPRGKRZSA-N
XLogP2.23
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 46889917) is [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NC[C@@H]1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21.
What is the InChIKey of [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is LKMQZMYQTGQFSV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-9-12-3-1-2-11-8-13(4-5-15(11)12)20(18,19)14-6-7-17-10-14/h4-8,10,12,17H,1-3,9,16H2/t12-/m0/s1.
What are the key properties of [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 290.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 46889917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).