1-tert-butyl-N-(thian-4-yl)piperidin-4-amine

C14H28N2S — CID 54866721

IUPAC1-tert-butyl-N-(thian-4-yl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C14H28N2S/c1-14(2,3)16-8-4-12(5-9-16)15-13-6-10-17-11-7-13/h12-13,15H,4-11H2,1-3H3
InChIKeyQQRSPKGMROFGJG-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.73
Rot. Bonds2

About 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine

1-tert-butyl-N-(thian-4-yl)piperidin-4-amine (PubChem CID 54866721) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(thian-4-yl)piperidin-4-amine
PubChem CID54866721
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name1-tert-butyl-N-(thian-4-yl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C14H28N2S/c1-14(2,3)16-8-4-12(5-9-16)15-13-6-10-17-11-7-13/h12-13,15H,4-11H2,1-3H3
InChIKeyQQRSPKGMROFGJG-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine (CID 54866721) is 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine is CC(C)(C)N1CCC(NC2CCSCC2)CC1.
What is the InChIKey of 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine?
The InChIKey is QQRSPKGMROFGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-14(2,3)16-8-4-12(5-9-16)15-13-6-10-17-11-7-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine?
1-tert-butyl-N-(thian-4-yl)piperidin-4-amine has a molecular weight of 256.46 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 54866721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).