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

C16H20N2O2S — CID 46889918

IUPACN-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESCNC[C@@H]1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21
InChIInChI=1S/C16H20N2O2S/c1-17-10-13-4-2-3-12-9-14(5-6-16(12)13)21(19,20)15-7-8-18-11-15/h5-9,11,13,17-18H,2-4,10H2,1H3/t13-/m0/s1
InChIKeyFATVWPGDOJVMQE-ZDUSSCGKSA-N
MW304.41 g/mol
LogP2.49
Rot. Bonds4

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

N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 46889918) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID46889918
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESCNC[C@@H]1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21
InChIInChI=1S/C16H20N2O2S/c1-17-10-13-4-2-3-12-9-14(5-6-16(12)13)21(19,20)15-7-8-18-11-15/h5-9,11,13,17-18H,2-4,10H2,1H3/t13-/m0/s1
InChIKeyFATVWPGDOJVMQE-ZDUSSCGKSA-N
XLogP2.49
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 46889918) is N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is CNC[C@@H]1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21.
What is the InChIKey of N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is FATVWPGDOJVMQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-17-10-13-4-2-3-12-9-14(5-6-16(12)13)21(19,20)15-7-8-18-11-15/h5-9,11,13,17-18H,2-4,10H2,1H3/t13-/m0/s1.
What are the key properties of N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 304.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 46889918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).