N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride

C17H27ClN2O2S — CID 119978069

IUPACN-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-18-13-14-8-10-19(11-9-14)22(20,21)17-7-6-15-4-2-3-5-16(15)12-17;/h6-7,12,14,18H,2-5,8-11,13H2,1H3;1H
InChIKeyBZMXLCKLPQSIGR-UHFFFAOYSA-N
MW358.94 g/mol
LogP2.61
Rot. Bonds4

About N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride

N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119978069) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID119978069
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC NameN-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-18-13-14-8-10-19(11-9-14)22(20,21)17-7-6-15-4-2-3-5-16(15)12-17;/h6-7,12,14,18H,2-5,8-11,13H2,1H3;1H
InChIKeyBZMXLCKLPQSIGR-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
CID 48737336
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
CID 119978372
4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284728
N-methyl-1-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977852
1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709764

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride (CID 119978069) is N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride is CNCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.Cl.
What is the InChIKey of N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is BZMXLCKLPQSIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S.ClH/c1-18-13-14-8-10-19(11-9-14)22(20,21)17-7-6-15-4-2-3-5-16(15)12-17;/h6-7,12,14,18H,2-5,8-11,13H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119978069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).