2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one

C10H17NO3S — CID 43797735

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one
SMILESCN(C1CCS(=O)(=O)C1)C1CCCC1=O
InChIInChI=1S/C10H17NO3S/c1-11(9-3-2-4-10(9)12)8-5-6-15(13,14)7-8/h8-9H,2-7H2,1H3
InChIKeyNVTRHUFTTJSCIV-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.23
Rot. Bonds2

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one

2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one (PubChem CID 43797735) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one
PubChem CID43797735
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one
SMILESCN(C1CCS(=O)(=O)C1)C1CCCC1=O
InChIInChI=1S/C10H17NO3S/c1-11(9-3-2-4-10(9)12)8-5-6-15(13,14)7-8/h8-9H,2-7H2,1H3
InChIKeyNVTRHUFTTJSCIV-UHFFFAOYSA-N
XLogP0.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one
CID 130898968
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol
CID 82982631
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810
N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine
CID 81459205
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxan-4-one
CID 103057738
2-[cyclopropyl(propyl)amino]cyclopentan-1-one
CID 43795493
azanium (1,1-dioxothiolan-3-yl)-methylcarbamodithioic acid
CID 21177645
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689904
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one (CID 43797735) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one is CN(C1CCS(=O)(=O)C1)C1CCCC1=O.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one?
The InChIKey is NVTRHUFTTJSCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-11(9-3-2-4-10(9)12)8-5-6-15(13,14)7-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one?
2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one has a molecular weight of 231.32 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one is sourced from PubChem (CID 43797735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).