N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine

C15H32N2S — CID 114238325

IUPACN-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCC(SC)CC1
InChIInChI=1S/C15H32N2S/c1-6-7-13(12-16-15(2,3)4)17-10-8-14(18-5)9-11-17/h13-14,16H,6-12H2,1-5H3
InChIKeyAPYRVKBQOLTUMX-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.37
Rot. Bonds6

About N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine

N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine (PubChem CID 114238325) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
PubChem CID114238325
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC NameN-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCC(SC)CC1
InChIInChI=1S/C15H32N2S/c1-6-7-13(12-16-15(2,3)4)17-10-8-14(18-5)9-11-17/h13-14,16H,6-12H2,1-5H3
InChIKeyAPYRVKBQOLTUMX-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
CID 83054006
N-tert-butyl-2-(4-ethylazepan-1-yl)pentan-1-amine
CID 83055251
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 83038989
N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine
CID 83054955
N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 83054505
N-tert-butyl-4-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238304
N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine
CID 83221318
N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62438126
N-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 83054458
N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 83042309
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine (CID 114238325) is N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine is CCCC(CNC(C)(C)C)N1CCC(SC)CC1.
What is the InChIKey of N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine?
The InChIKey is APYRVKBQOLTUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-6-7-13(12-16-15(2,3)4)17-10-8-14(18-5)9-11-17/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine?
N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine has a molecular weight of 272.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine is sourced from PubChem (CID 114238325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).