N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide

C14H26N2O3S — CID 81044187

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCS(=O)(=O)C1)C1CCCNC1
InChIInChI=1S/C14H26N2O3S/c1-11(13-3-2-5-15-9-13)7-14(17)16-8-12-4-6-20(18,19)10-12/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyISLUJSFNIUNUEH-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.56
Rot. Bonds5

About N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide

N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 81044187) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID81044187
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCS(=O)(=O)C1)C1CCCNC1
InChIInChI=1S/C14H26N2O3S/c1-11(13-3-2-5-15-9-13)7-14(17)16-8-12-4-6-20(18,19)10-12/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyISLUJSFNIUNUEH-UHFFFAOYSA-N
XLogP0.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
CID 81049792
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119785752
5-[(1,1-dioxothiolan-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62966304

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide (CID 81044187) is N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC1CCS(=O)(=O)C1)C1CCCNC1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is ISLUJSFNIUNUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-11(13-3-2-5-15-9-13)7-14(17)16-8-12-4-6-20(18,19)10-12/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 302.44 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).