N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine

C19H33N3S — CID 29257171

IUPACN,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine
SMILESCSc1cccc(CN2CCC[C@@H](N(C)CCCN(C)C)C2)c1
InChIInChI=1S/C19H33N3S/c1-20(2)11-7-12-21(3)18-9-6-13-22(16-18)15-17-8-5-10-19(14-17)23-4/h5,8,10,14,18H,6-7,9,11-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyOGSQZKYKKRDDKY-GOSISDBHSA-N
MW335.56 g/mol
LogP3.26
Rot. Bonds8

About N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine (PubChem CID 29257171) has the molecular formula C19H33N3S and a molecular weight of 335.56 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine
PubChem CID29257171
Molecular FormulaC19H33N3S
Molecular Weight335.56 g/mol
Exact Mass335.24
IUPAC NameN,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine
SMILESCSc1cccc(CN2CCC[C@@H](N(C)CCCN(C)C)C2)c1
InChIInChI=1S/C19H33N3S/c1-20(2)11-7-12-21(3)18-9-6-13-22(16-18)15-17-8-5-10-19(14-17)23-4/h5,8,10,14,18H,6-7,9,11-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyOGSQZKYKKRDDKY-GOSISDBHSA-N
XLogP3.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine with MolForge

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Related Compounds

3-[[3-[(3-methylsulfanylphenyl)methylamino]piperidin-1-yl]methyl]phenol
CID 131929815
3-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]methyl]phenol
CID 51635899
4-[(3-methylsulfanylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74242478
3-ethyl-1-[(3-methylsulfanylphenyl)methyl]azetidine
CID 164557618
(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633851
(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633849
2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
CID 45215252
1-[3-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]methyl]phenyl]ethanone
CID 28955798
(3S)-3-[methyl(2-phenylethyl)amino]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 42456207
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-amine
CID 51634488
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346546
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 91833363

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine (CID 29257171) is N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine is CSc1cccc(CN2CCC[C@@H](N(C)CCCN(C)C)C2)c1.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine?
The InChIKey is OGSQZKYKKRDDKY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H33N3S/c1-20(2)11-7-12-21(3)18-9-6-13-22(16-18)15-17-8-5-10-19(14-17)23-4/h5,8,10,14,18H,6-7,9,11-13,15-16H2,1-4H3/t18-/m1/s1.
What are the key properties of N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine has a molecular weight of 335.56 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine is sourced from PubChem (CID 29257171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).