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

C9H18N2O2S — CID 43511755

IUPACN-(1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESO=S1(=O)CCC(NC2CCNCC2)C1
InChIInChI=1S/C9H18N2O2S/c12-14(13)6-3-9(7-14)11-8-1-4-10-5-2-8/h8-11H,1-7H2
InChIKeyWITUPXDSKABGCX-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.48
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)piperidin-4-amine (PubChem CID 43511755) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)piperidin-4-amine
PubChem CID43511755
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESO=S1(=O)CCC(NC2CCNCC2)C1
InChIInChI=1S/C9H18N2O2S/c12-14(13)6-3-9(7-14)11-8-1-4-10-5-2-8/h8-11H,1-7H2
InChIKeyWITUPXDSKABGCX-UHFFFAOYSA-N
XLogP-0.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopentylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16247866
N-cyclohexyltetrahydrothiophen-3-amine 1,1-dioxide
CID 3152340
2-(Piperidin-4-yl)-1lambda6,2-thiazolidine-1,1-dione
CID 53256087
1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide hydrochloride
CID 122236456
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
3-Piperazin-1-ylthiolane 1,1-dioxide
CID 4962357
3-(Cyclohexylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 24279262
2-[(Piperazin-1-yl)methyl]-1lambda6-thiolane-1,1-dione dihydrochloride
CID 126812361
(1R,4R)-2-Thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide hydrochloride
CID 135393383

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)piperidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)piperidin-4-amine (CID 43511755) is N-(1,1-dioxothiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)piperidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)piperidin-4-amine is O=S1(=O)CCC(NC2CCNCC2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)piperidin-4-amine?
The InChIKey is WITUPXDSKABGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c12-14(13)6-3-9(7-14)11-8-1-4-10-5-2-8/h8-11H,1-7H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)piperidin-4-amine?
N-(1,1-dioxothiolan-3-yl)piperidin-4-amine has a molecular weight of 218.32 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 43511755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).