N-benzyl-1-methylsulfinylpiperidin-4-amine

C13H20N2OS — CID 145040513

IUPACN-benzyl-1-methylsulfinylpiperidin-4-amine
SMILESCS(=O)N1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C13H20N2OS/c1-17(16)15-9-7-13(8-10-15)14-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyUKESYWWBWPWHAT-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.53
Rot. Bonds4

About N-benzyl-1-methylsulfinylpiperidin-4-amine

N-benzyl-1-methylsulfinylpiperidin-4-amine (PubChem CID 145040513) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-benzyl-1-methylsulfinylpiperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-methylsulfinylpiperidin-4-amine
PubChem CID145040513
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-benzyl-1-methylsulfinylpiperidin-4-amine
SMILESCS(=O)N1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C13H20N2OS/c1-17(16)15-9-7-13(8-10-15)14-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyUKESYWWBWPWHAT-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-methylpiperidin-4-amine
CID 1114650
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
benzene;N-benzylcyclohexanamine
CID 142622843
N-benzyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124375
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine
CID 115654108
N-benzyl-1-pentan-2-ylsulfanylpiperidin-4-amine
CID 170623107

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylsulfinylpiperidin-4-amine?
The IUPAC name of N-benzyl-1-methylsulfinylpiperidin-4-amine (CID 145040513) is N-benzyl-1-methylsulfinylpiperidin-4-amine.
What is the SMILES notation for N-benzyl-1-methylsulfinylpiperidin-4-amine?
The canonical SMILES for N-benzyl-1-methylsulfinylpiperidin-4-amine is CS(=O)N1CCC(NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-methylsulfinylpiperidin-4-amine?
The InChIKey is UKESYWWBWPWHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-17(16)15-9-7-13(8-10-15)14-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of N-benzyl-1-methylsulfinylpiperidin-4-amine?
N-benzyl-1-methylsulfinylpiperidin-4-amine has a molecular weight of 252.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylsulfinylpiperidin-4-amine is sourced from PubChem (CID 145040513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).