N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide

C15H28N2O3S — CID 107067646

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
SMILESCCCCN(C(=O)C1NCCCC1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H28N2O3S/c1-3-4-9-17(13-7-10-21(19,20)11-13)15(18)14-12(2)6-5-8-16-14/h12-14,16H,3-11H2,1-2H3
InChIKeyPQLSVMXJULSDIT-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.19
Rot. Bonds5

About N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide (PubChem CID 107067646) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
PubChem CID107067646
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
SMILESCCCCN(C(=O)C1NCCCC1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H28N2O3S/c1-3-4-9-17(13-7-10-21(19,20)11-13)15(18)14-12(2)6-5-8-16-14/h12-14,16H,3-11H2,1-2H3
InChIKeyPQLSVMXJULSDIT-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
CID 104913271
N,N-dibutyl-3-methylpiperidine-2-carboxamide
CID 62339284
N-cyclopropyl-N-ethyl-3-methylpiperidine-2-carboxamide
CID 107067196
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053
butyl-[(3R)-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 51496105
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylpiperidine-2-carboxamide
CID 55060417
N-butyl-N-(1,1-dioxothiolan-3-yl)adamantane-2-carboxamide
CID 134026791
N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide
CID 55060466
5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
CID 103514735
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 107067711
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide
CID 119682490

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide (CID 107067646) is N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide is CCCCN(C(=O)C1NCCCC1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide?
The InChIKey is PQLSVMXJULSDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-3-4-9-17(13-7-10-21(19,20)11-13)15(18)14-12(2)6-5-8-16-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).