N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide

C14H26N2O3S — CID 81044428

IUPACN-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CCS(=O)(=O)CC1)C1CCCNC1
InChIInChI=1S/C14H26N2O3S/c1-11(12-3-2-6-15-10-12)9-14(17)16-13-4-7-20(18,19)8-5-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyFLFBOEYLUSBKHJ-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.71
Rot. Bonds4

About N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide

N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide (PubChem CID 81044428) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
PubChem CID81044428
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CCS(=O)(=O)CC1)C1CCCNC1
InChIInChI=1S/C14H26N2O3S/c1-11(12-3-2-6-15-10-12)9-14(17)16-13-4-7-20(18,19)8-5-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyFLFBOEYLUSBKHJ-UHFFFAOYSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81044187
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-(oxan-3-yl)-3-piperidin-3-ylbutanamide
CID 81043949
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119900324
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119830098

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide (CID 81044428) is N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NC1CCS(=O)(=O)CC1)C1CCCNC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is FLFBOEYLUSBKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-11(12-3-2-6-15-10-12)9-14(17)16-13-4-7-20(18,19)8-5-13/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide?
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 302.44 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).