N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine

C15H28N2O2S — CID 63682211

IUPACN'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CCS(=O)(=O)C1)CC1CC2CCC1C2
InChIInChI=1S/C15H28N2O2S/c1-17(10-14-9-12-2-3-13(14)8-12)6-5-16-15-4-7-20(18,19)11-15/h12-16H,2-11H2,1H3
InChIKeyINQHWMDETVQOSB-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.13
Rot. Bonds6

About N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine

N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine (PubChem CID 63682211) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
PubChem CID63682211
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CCS(=O)(=O)C1)CC1CC2CCC1C2
InChIInChI=1S/C15H28N2O2S/c1-17(10-14-9-12-2-3-13(14)8-12)6-5-16-15-4-7-20(18,19)11-15/h12-16H,2-11H2,1H3
InChIKeyINQHWMDETVQOSB-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55225873
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55233639
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
N-(1,1-dioxothiolan-3-yl)-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 62558264
N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62556402
N'-[(4-bromothiophen-2-yl)methyl]-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
CID 62554573
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 55090191
N'-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
CID 62557781
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63685539

Frequently Asked Questions

What is the IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine (CID 63682211) is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine is CN(CCNC1CCS(=O)(=O)C1)CC1CC2CCC1C2.
What is the InChIKey of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine?
The InChIKey is INQHWMDETVQOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-17(10-14-9-12-2-3-13(14)8-12)6-5-16-15-4-7-20(18,19)11-15/h12-16H,2-11H2,1H3.
What are the key properties of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine?
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine has a molecular weight of 300.47 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63682211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).