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

C14H26N2O3S — CID 104913271

IUPAC(2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
SMILESCCCCN(C(=O)[C@H]1CCCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-2-3-9-16(12-7-10-20(18,19)11-12)14(17)13-6-4-5-8-15-13/h12-13,15H,2-11H2,1H3/t12?,13-/m1/s1
InChIKeyGVVUWFQMHLQIQI-ZGTCLIOFSA-N
MW302.44 g/mol
LogP0.94
Rot. Bonds5

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

(2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide (PubChem CID 104913271) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is (2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
PubChem CID104913271
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name(2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
SMILESCCCCN(C(=O)[C@H]1CCCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-2-3-9-16(12-7-10-20(18,19)11-12)14(17)13-6-4-5-8-15-13/h12-13,15H,2-11H2,1H3/t12?,13-/m1/s1
InChIKeyGVVUWFQMHLQIQI-ZGTCLIOFSA-N
XLogP0.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-butyl-N-cyclopropylpiperidine-2-carboxamide
CID 104913351
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)azepane-2-carboxamide
CID 64562839
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
CID 107067646
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-2-carboxamide
CID 103807849
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 22691367
N-butyl-N-(1,1-dioxothiolan-3-yl)adamantane-2-carboxamide
CID 134026791
5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
CID 103514735
butyl-[(3R)-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 51496105
N-butyl-2-cyclopentylsulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 97027582
N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 71894374

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide (CID 104913271) is (2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide is CCCCN(C(=O)[C@H]1CCCCN1)C1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide?
The InChIKey is GVVUWFQMHLQIQI-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-3-9-16(12-7-10-20(18,19)11-12)14(17)13-6-4-5-8-15-13/h12-13,15H,2-11H2,1H3/t12?,13-/m1/s1.
What are the key properties of (2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide?
(2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 104913271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).