(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone

C10H18N2O3S — CID 61295519

IUPAC(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
SMILESNC1CCCN(C(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H18N2O3S/c11-9-2-1-4-12(6-9)10(13)8-3-5-16(14,15)7-8/h8-9H,1-7,11H2
InChIKeyFXEWKZAAATYZDC-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.63
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone

(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone (PubChem CID 61295519) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
PubChem CID61295519
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
SMILESNC1CCCN(C(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H18N2O3S/c11-9-2-1-4-12(6-9)10(13)8-3-5-16(14,15)7-8/h8-9H,1-7,11H2
InChIKeyFXEWKZAAATYZDC-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 80659982
2-[[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813636
(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62372380
[(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 100672566
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029559
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 102983809

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone (CID 61295519) is (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone is NC1CCCN(C(=O)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone?
The InChIKey is FXEWKZAAATYZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-9-2-1-4-12(6-9)10(13)8-3-5-16(14,15)7-8/h8-9H,1-7,11H2.
What are the key properties of (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone?
(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone has a molecular weight of 246.33 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone is sourced from PubChem (CID 61295519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).