3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine

C13H27N3S — CID 79950113

IUPAC3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
SMILESCC1CC(CN)(N(C)CCN2CCCC2)CS1
InChIInChI=1S/C13H27N3S/c1-12-9-13(10-14,11-17-12)15(2)7-8-16-5-3-4-6-16/h12H,3-11,14H2,1-2H3
InChIKeyNYSZNXAPGDSAMV-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.24
Rot. Bonds5

About 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine

3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine (PubChem CID 79950113) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
PubChem CID79950113
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
SMILESCC1CC(CN)(N(C)CCN2CCCC2)CS1
InChIInChI=1S/C13H27N3S/c1-12-9-13(10-14,11-17-12)15(2)7-8-16-5-3-4-6-16/h12H,3-11,14H2,1-2H3
InChIKeyNYSZNXAPGDSAMV-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 106661226
3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine
CID 79950945
1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 64746041
1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 63206903
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 62010539
3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
CID 79950104
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 62010329
3-(aminomethyl)-5-methyl-N-propan-2-yl-N-propylthiolan-3-amine
CID 79950217
1-(aminomethyl)-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 65044747
3-(aminomethyl)-N-butyl-N-ethyl-5-methylthiolan-3-amine
CID 79950939
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 79850413
N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992122

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine (CID 79950113) is 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine is CC1CC(CN)(N(C)CCN2CCCC2)CS1.
What is the InChIKey of 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
The InChIKey is NYSZNXAPGDSAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-12-9-13(10-14,11-17-12)15(2)7-8-16-5-3-4-6-16/h12H,3-11,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine has a molecular weight of 257.45 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine is sourced from PubChem (CID 79950113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).