3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine

C9H20N2O2S — CID 63163042

IUPAC3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine
SMILESCCCN(C)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O2S/c1-3-5-11(2)9(7-10)4-6-14(12,13)8-9/h3-8,10H2,1-2H3
InChIKeyPHBONWGWKMKPII-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.16
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine

3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine (PubChem CID 63163042) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine
PubChem CID63163042
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine
SMILESCCCN(C)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O2S/c1-3-5-11(2)9(7-10)4-6-14(12,13)8-9/h3-8,10H2,1-2H3
InChIKeyPHBONWGWKMKPII-UHFFFAOYSA-N
XLogP-0.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226175
4-(aminomethyl)-1,1-dioxo-N,N-dipropylthian-4-amine
CID 54983034
3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
CID 63162741
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
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-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 79476066
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine
CID 79849787
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162872
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1,1-dioxothiolan-3-amine
CID 63956770
3-(aminomethyl)-N-butyl-N-ethyl-1,1-dioxothian-3-amine
CID 63924027
3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 55160852

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine (CID 63163042) is 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine is CCCN(C)C1(CN)CCS(=O)(=O)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine?
The InChIKey is PHBONWGWKMKPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-5-11(2)9(7-10)4-6-14(12,13)8-9/h3-8,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine?
3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine has a molecular weight of 220.34 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine is sourced from PubChem (CID 63163042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).