N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide

C15H28N2O2S — CID 71981856

IUPACN-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NCC1(O)CCSC1)N1CCCCC1
InChIInChI=1S/C15H28N2O2S/c1-12(2)13(17-7-4-3-5-8-17)14(18)16-10-15(19)6-9-20-11-15/h12-13,19H,3-11H2,1-2H3,(H,16,18)
InChIKeySUXNMHXYVGDVQT-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.48
Rot. Bonds5

About N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide

N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide (PubChem CID 71981856) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
PubChem CID71981856
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NCC1(O)CCSC1)N1CCCCC1
InChIInChI=1S/C15H28N2O2S/c1-12(2)13(17-7-4-3-5-8-17)14(18)16-10-15(19)6-9-20-11-15/h12-13,19H,3-11H2,1-2H3,(H,16,18)
InChIKeySUXNMHXYVGDVQT-UHFFFAOYSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
The IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide (CID 71981856) is N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
The canonical SMILES for N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide is CC(C)C(C(=O)NCC1(O)CCSC1)N1CCCCC1.
What is the InChIKey of N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
The InChIKey is SUXNMHXYVGDVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-12(2)13(17-7-4-3-5-8-17)14(18)16-10-15(19)6-9-20-11-15/h12-13,19H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide has a molecular weight of 300.47 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide is sourced from PubChem (CID 71981856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).