(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine

C15H20N2O2S2 — CID 97224296

IUPAC(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine
SMILESCS(=O)(=O)N1CCC[C@@H](NCc2cc3ccccc3s2)C1
InChIInChI=1S/C15H20N2O2S2/c1-21(18,19)17-8-4-6-13(11-17)16-10-14-9-12-5-2-3-7-15(12)20-14/h2-3,5,7,9,13,16H,4,6,8,10-11H2,1H3/t13-/m1/s1
InChIKeyQSARCPFISLZMEX-CYBMUJFWSA-N
MW324.47 g/mol
LogP2.41
Rot. Bonds4

About (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine

(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine (PubChem CID 97224296) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine
PubChem CID97224296
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine
SMILESCS(=O)(=O)N1CCC[C@@H](NCc2cc3ccccc3s2)C1
InChIInChI=1S/C15H20N2O2S2/c1-21(18,19)17-8-4-6-13(11-17)16-10-14-9-12-5-2-3-7-15(12)20-14/h2-3,5,7,9,13,16H,4,6,8,10-11H2,1H3/t13-/m1/s1
InChIKeyQSARCPFISLZMEX-CYBMUJFWSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3S)-N-(1-benzothiophen-2-ylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 97224328
N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
CID 115694093
N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine
CID 75426807
N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine
CID 138020894
N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47941634
N-ethyl-1-methylsulfonylazepan-3-amine
CID 121359011
(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 125129924
(2S,3S)-N-(1-benzothiophen-2-ylmethyl)-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128971716
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 47406249
N-[(4,5-dibromothiophen-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 102831737
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
CID 47982906

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine?
The IUPAC name of (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine (CID 97224296) is (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine is CS(=O)(=O)N1CCC[C@@H](NCc2cc3ccccc3s2)C1.
What is the InChIKey of (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine?
The InChIKey is QSARCPFISLZMEX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-21(18,19)17-8-4-6-13(11-17)16-10-14-9-12-5-2-3-7-15(12)20-14/h2-3,5,7,9,13,16H,4,6,8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine?
(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine has a molecular weight of 324.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine is sourced from PubChem (CID 97224296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).