1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine

C12H24N2O2S — CID 55034622

IUPAC1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
SMILESCN(C1CCS(=O)(=O)C1)C(CN)C1CCCC1
InChIInChI=1S/C12H24N2O2S/c1-14(11-6-7-17(15,16)9-11)12(8-13)10-4-2-3-5-10/h10-12H,2-9,13H2,1H3
InChIKeyVCBRIYVAJJEGPH-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds4

About 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine

1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine (PubChem CID 55034622) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
PubChem CID55034622
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
SMILESCN(C1CCS(=O)(=O)C1)C(CN)C1CCCC1
InChIInChI=1S/C12H24N2O2S/c1-14(11-6-7-17(15,16)9-11)12(8-13)10-4-2-3-5-10/h10-12H,2-9,13H2,1H3
InChIKeyVCBRIYVAJJEGPH-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine
CID 79408822
N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080824
N-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 55161654
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43648677
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069493
N-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 43648601
2-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 20985922
1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
CID 116651214
N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
N-(1,1-dioxothiolan-3-yl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 43648599
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62780382
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine (CID 55034622) is 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine is CN(C1CCS(=O)(=O)C1)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine?
The InChIKey is VCBRIYVAJJEGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-14(11-6-7-17(15,16)9-11)12(8-13)10-4-2-3-5-10/h10-12H,2-9,13H2,1H3.
What are the key properties of 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine?
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine has a molecular weight of 260.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 55034622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).