1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine

C12H24N2O2S — CID 43679758

IUPAC1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESCCN1CCC(NC2(C)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H24N2O2S/c1-3-14-7-4-11(5-8-14)13-12(2)6-9-17(15,16)10-12/h11,13H,3-10H2,1-2H3
InChIKeyCPGTXHOIWNBVGA-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds3

About 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine

1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine (PubChem CID 43679758) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
PubChem CID43679758
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESCCN1CCC(NC2(C)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H24N2O2S/c1-3-14-7-4-11(5-8-14)13-12(2)6-9-17(15,16)10-12/h11,13H,3-10H2,1-2H3
InChIKeyCPGTXHOIWNBVGA-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
4-(dimethylsulfamoylamino)-1-[(3S)-1,1-dioxothiolan-3-yl]piperidine
CID 129529395
1-(1,1-dioxothian-4-yl)-N-methyl-4-(trifluoromethyl)piperidin-4-amine
CID 170587372
3-Piperidin-1-ium-1-ylthiolane 1,1-dioxide chloride
CID 2896399
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43780192
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61058873
N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64852772
N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 65096894
N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81039060

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine (CID 43679758) is 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine is CCN1CCC(NC2(C)CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
The InChIKey is CPGTXHOIWNBVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-14-7-4-11(5-8-14)13-12(2)6-9-17(15,16)10-12/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 43679758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).