ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide

C21H34N2OS — CID 142910612

IUPACethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide
SMILESCC.CC.CN(CC1CCNCC1)S(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2OS.2C2H6/c1-19(13-14-9-11-18-12-10-14)21(20)17-8-4-6-15-5-2-3-7-16(15)17;2*1-2/h2-8,14,18H,9-13H2,1H3;2*1-2H3
InChIKeyQFEOIZOWUNGPDH-UHFFFAOYSA-N
MW362.58 g/mol
LogP4.85
Rot. Bonds4

About ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide

ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide (PubChem CID 142910612) has the molecular formula C21H34N2OS and a molecular weight of 362.58 g/mol. Its IUPAC name is ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide
PubChem CID142910612
Molecular FormulaC21H34N2OS
Molecular Weight362.58 g/mol
Exact Mass362.24
IUPAC Nameethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide
SMILESCC.CC.CN(CC1CCNCC1)S(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2OS.2C2H6/c1-19(13-14-9-11-18-12-10-14)21(20)17-8-4-6-15-5-2-3-7-16(15)17;2*1-2/h2-8,14,18H,9-13H2,1H3;2*1-2H3
InChIKeyQFEOIZOWUNGPDH-UHFFFAOYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.58
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide
CID 142909479
ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide
CID 142910503
N-methyl-N-naphthalen-1-ylpiperidin-4-amine
CID 57088493
N-methyl-N-(naphthalen-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929695
N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine
CID 79719670
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561
2-fluoro-6-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107015989
N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715535

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide?
The IUPAC name of ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide (CID 142910612) is ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide.
What is the SMILES notation for ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide?
The canonical SMILES for ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide is CC.CC.CN(CC1CCNCC1)S(=O)c1cccc2ccccc12.
What is the InChIKey of ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide?
The InChIKey is QFEOIZOWUNGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS.2C2H6/c1-19(13-14-9-11-18-12-10-14)21(20)17-8-4-6-15-5-2-3-7-16(15)17;2*1-2/h2-8,14,18H,9-13H2,1H3;2*1-2H3.
What are the key properties of ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide?
ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide has a molecular weight of 362.58 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide is sourced from PubChem (CID 142910612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).