N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine

C11H25N3O2S — CID 55226175

IUPACN'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C11H25N3O2S/c1-13(2)6-4-7-14(3)11(9-12)5-8-17(15,16)10-11/h4-10,12H2,1-3H3
InChIKeyPNGQHLMURDNTJN-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.61
Rot. Bonds6

About N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 55226175) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID55226175
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C11H25N3O2S/c1-13(2)6-4-7-14(3)11(9-12)5-8-17(15,16)10-11/h4-10,12H2,1-3H3
InChIKeyPNGQHLMURDNTJN-UHFFFAOYSA-N
XLogP-0.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[4-(aminomethyl)-1,1-dioxothian-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694302
3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine
CID 63163042
N'-[3-(aminomethyl)-1,1-dioxothian-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991953
3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162457
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-pyridin-4-ylethyl)thiolan-3-amine
CID 63162824
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 79476066
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine
CID 79849787
N'-[1-(aminomethyl)-4-ethylcyclohexyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694995
3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
CID 63162741
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162872
3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 55160852
3-(aminomethyl)-N-methyl-N-(2-methylphenyl)-1,1-dioxothiolan-3-amine
CID 63162829

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 55226175) is N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)C1(CN)CCS(=O)(=O)C1.
What is the InChIKey of N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is PNGQHLMURDNTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-13(2)6-4-7-14(3)11(9-12)5-8-17(15,16)10-11/h4-10,12H2,1-3H3.
What are the key properties of N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 263.41 g/mol, XLogP of -0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 55226175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).