1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C13H27N3O2S — CID 62885389

IUPAC1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C13H27N3O2S/c1-15(2)10-12-4-3-7-16(12)13(11-14)5-8-19(17,18)9-6-13/h12H,3-11,14H2,1-2H3
InChIKeyZIXGUZVWRSRATH-UHFFFAOYSA-N
MW289.44 g/mol
LogP-0.08
Rot. Bonds4

About 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 62885389) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID62885389
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C13H27N3O2S/c1-15(2)10-12-4-3-7-16(12)13(11-14)5-8-19(17,18)9-6-13/h12H,3-11,14H2,1-2H3
InChIKeyZIXGUZVWRSRATH-UHFFFAOYSA-N
XLogP-0.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62884867
1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115999095
[8-(2-ethylpyrrolidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818062
1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 64761570
[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 63162443
[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63921849
1-[1-[[1-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890070
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115449022
[4-(2-ethylpiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43266395
2-[1-(aminomethyl)cyclohexyl]-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 104678156
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
CID 64568494
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 82746287

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 62885389) is 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1C1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is ZIXGUZVWRSRATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-15(2)10-12-4-3-7-16(12)13(11-14)5-8-19(17,18)9-6-13/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 289.44 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62885389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).