N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine

C14H28N2S — CID 50983919

IUPACN-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine
SMILESCC1CCCCN1CCN(C)C1CCSCC1
InChIInChI=1S/C14H28N2S/c1-13-5-3-4-8-16(13)10-9-15(2)14-6-11-17-12-7-14/h13-14H,3-12H2,1-2H3
InChIKeyICMMGBKFYNBOGC-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine

N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine (PubChem CID 50983919) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine
PubChem CID50983919
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine
SMILESCC1CCCCN1CCN(C)C1CCSCC1
InChIInChI=1S/C14H28N2S/c1-13-5-3-4-8-16(13)10-9-15(2)14-6-11-17-12-7-14/h13-14H,3-12H2,1-2H3
InChIKeyICMMGBKFYNBOGC-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]thian-4-amine
CID 95147822
N-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]formamide
CID 174509096
N-methyl-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine
CID 39781787
N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine
CID 39781789
2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine
CID 50963898
2-N,4-N-dimethyl-2-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2,4-diamine
CID 95127807
2-methyl-1-pentylazepane
CID 134994557
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 124753653
(2-methylpiperidin-1-yl)methanol
CID 67262865
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
CID 50952219

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine?
The IUPAC name of N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine (CID 50983919) is N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine.
What is the SMILES notation for N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine?
The canonical SMILES for N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine is CC1CCCCN1CCN(C)C1CCSCC1.
What is the InChIKey of N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine?
The InChIKey is ICMMGBKFYNBOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13-5-3-4-8-16(13)10-9-15(2)14-6-11-17-12-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine?
N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine has a molecular weight of 256.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine is sourced from PubChem (CID 50983919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).