1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine

C24H29N3S — CID 142919195

IUPAC1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine
SMILESCNc1ccc(SNC2CCN(Cc3ccccc3)CC2C)c2ccccc12
InChIInChI=1S/C24H29N3S/c1-18-16-27(17-19-8-4-3-5-9-19)15-14-22(18)26-28-24-13-12-23(25-2)20-10-6-7-11-21(20)24/h3-13,18,22,25-26H,14-17H2,1-2H3
InChIKeyIEHIZXYKZYGPHY-UHFFFAOYSA-N
MW391.58 g/mol
LogP5.39
Rot. Bonds6

About 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine

1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine (PubChem CID 142919195) has the molecular formula C24H29N3S and a molecular weight of 391.58 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine
PubChem CID142919195
Molecular FormulaC24H29N3S
Molecular Weight391.58 g/mol
Exact Mass391.21
IUPAC Name1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine
SMILESCNc1ccc(SNC2CCN(Cc3ccccc3)CC2C)c2ccccc12
InChIInChI=1S/C24H29N3S/c1-18-16-27(17-19-8-4-3-5-9-19)15-14-22(18)26-28-24-13-12-23(25-2)20-10-6-7-11-21(20)24/h3-13,18,22,25-26H,14-17H2,1-2H3
InChIKeyIEHIZXYKZYGPHY-UHFFFAOYSA-N
XLogP5.39
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 86799905
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-(1-benzyl-3-methylpiperidin-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111795636
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
N,3-dimethyl-1-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 62369775
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
CID 98773554

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine?
The IUPAC name of 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine (CID 142919195) is 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine is CNc1ccc(SNC2CCN(Cc3ccccc3)CC2C)c2ccccc12.
What is the InChIKey of 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine?
The InChIKey is IEHIZXYKZYGPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3S/c1-18-16-27(17-19-8-4-3-5-9-19)15-14-22(18)26-28-24-13-12-23(25-2)20-10-6-7-11-21(20)24/h3-13,18,22,25-26H,14-17H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine?
1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine has a molecular weight of 391.58 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-[4-(methylamino)naphthalen-1-yl]sulfanylpiperidin-4-amine is sourced from PubChem (CID 142919195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).