1-(1,1-dioxothian-2-yl)cyclopentan-1-amine

C10H19NO2S — CID 115074027

IUPAC1-(1,1-dioxothian-2-yl)cyclopentan-1-amine
SMILESNC1(C2CCCCS2(=O)=O)CCCC1
InChIInChI=1S/C10H19NO2S/c11-10(6-2-3-7-10)9-5-1-4-8-14(9,12)13/h9H,1-8,11H2
InChIKeyPATKSDFTEPONME-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.23
Rot. Bonds1

About 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine

1-(1,1-dioxothian-2-yl)cyclopentan-1-amine (PubChem CID 115074027) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)cyclopentan-1-amine
PubChem CID115074027
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-(1,1-dioxothian-2-yl)cyclopentan-1-amine
SMILESNC1(C2CCCCS2(=O)=O)CCCC1
InChIInChI=1S/C10H19NO2S/c11-10(6-2-3-7-10)9-5-1-4-8-14(9,12)13/h9H,1-8,11H2
InChIKeyPATKSDFTEPONME-UHFFFAOYSA-N
XLogP1.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothian-2-yl)cyclohexan-1-amine
CID 71216253
1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine
CID 46204799
(3aS,7aR)-1,1-dioxo-3,4,5,6,7,7a-hexahydro-2H-1-benzothiophen-3a-ol
CID 639732
1-cyclooctylcyclooctan-1-amine
CID 19973273
1-(1,1-dioxothiolan-3-yl)cyclooctan-1-amine
CID 80603828
(1S,6S)-bicyclo[4.1.0]heptan-1-amine
CID 55289374
(1S,6R)-bicyclo[4.1.0]heptan-1-amine
CID 124660494
1-cyclohexylcyclohexan-1-amine;nitrous acid
CID 157147588
2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide
CID 117227318
2-(1-aminocyclohexyl)cyclohexan-1-one
CID 2771860
N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide
CID 104520827
1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
CID 115074255

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine?
The IUPAC name of 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine (CID 115074027) is 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine is NC1(C2CCCCS2(=O)=O)CCCC1.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine?
The InChIKey is PATKSDFTEPONME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c11-10(6-2-3-7-10)9-5-1-4-8-14(9,12)13/h9H,1-8,11H2.
What are the key properties of 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine?
1-(1,1-dioxothian-2-yl)cyclopentan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 115074027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).