4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline

C14H22N2S — CID 115211278

IUPAC4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
SMILESCSc1ccc(NCCC2CCCNC2)cc1
InChIInChI=1S/C14H22N2S/c1-17-14-6-4-13(5-7-14)16-10-8-12-3-2-9-15-11-12/h4-7,12,15-16H,2-3,8-11H2,1H3
InChIKeyDDAAWROHODITQQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.21
Rot. Bonds5

About 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline

4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline (PubChem CID 115211278) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline.

Molecular Properties

Compound Name4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
PubChem CID115211278
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
SMILESCSc1ccc(NCCC2CCCNC2)cc1
InChIInChI=1S/C14H22N2S/c1-17-14-6-4-13(5-7-14)16-10-8-12-3-2-9-15-11-12/h4-7,12,15-16H,2-3,8-11H2,1H3
InChIKeyDDAAWROHODITQQ-UHFFFAOYSA-N
XLogP3.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
CID 63629751
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 115211290
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
CID 115211260
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
3-fluoro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629585
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211281

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline?
The IUPAC name of 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline (CID 115211278) is 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline.
What is the SMILES notation for 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline?
The canonical SMILES for 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline is CSc1ccc(NCCC2CCCNC2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline?
The InChIKey is DDAAWROHODITQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-17-14-6-4-13(5-7-14)16-10-8-12-3-2-9-15-11-12/h4-7,12,15-16H,2-3,8-11H2,1H3.
What are the key properties of 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline?
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline has a molecular weight of 250.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline is sourced from PubChem (CID 115211278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).