(3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

C13H24N2O3S — CID 94119516

IUPAC(3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCC1CCN(CCNC(=O)[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H24N2O3S/c1-11-2-6-15(7-3-11)8-5-14-13(16)12-4-9-19(17,18)10-12/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyPEAKGPGRRCOLKU-LBPRGKRZSA-N
MW288.41 g/mol
LogP0.27
Rot. Bonds4

About (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 94119516) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID94119516
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCC1CCN(CCNC(=O)[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H24N2O3S/c1-11-2-6-15(7-3-11)8-5-14-13(16)12-4-9-19(17,18)10-12/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyPEAKGPGRRCOLKU-LBPRGKRZSA-N
XLogP0.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 94194365
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
(2R)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 103813586
N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 82994785
(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 94119495
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
CID 100613768
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 71893997
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (CID 94119516) is (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide is CC1CCN(CCNC(=O)[C@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is PEAKGPGRRCOLKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-11-2-6-15(7-3-11)8-5-14-13(16)12-4-9-19(17,18)10-12/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 94119516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).