[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine

C13H25N3S — CID 79175489

IUPAC[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
SMILESCN1C2CCC1CN(C1(CN)CCSC1)CC2
InChIInChI=1S/C13H25N3S/c1-15-11-2-3-12(15)8-16(6-4-11)13(9-14)5-7-17-10-13/h11-12H,2-10,14H2,1H3
InChIKeyDMGMKNVVANJFBA-UHFFFAOYSA-N
MW255.43 g/mol
LogP0.99
Rot. Bonds2

About [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine

[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine (PubChem CID 79175489) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
PubChem CID79175489
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
SMILESCN1C2CCC1CN(C1(CN)CCSC1)CC2
InChIInChI=1S/C13H25N3S/c1-15-11-2-3-12(15)8-16(6-4-11)13(9-14)5-7-17-10-13/h11-12H,2-10,14H2,1H3
InChIKeyDMGMKNVVANJFBA-UHFFFAOYSA-N
XLogP0.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thian-4-yl]methanamine
CID 79175214
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
CID 103563041
[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 103531486
[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103563040
[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine
CID 79166206
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
[3-(2-methylmorpholin-4-yl)thiolan-3-yl]methanamine
CID 24697033
[3-(azepan-1-yl)thiolan-3-yl]methanamine
CID 24710395
[3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine
CID 62871130
[3-(4-ethylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 24697068
[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 55165075

Frequently Asked Questions

What is the IUPAC name of [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine (CID 79175489) is [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine is CN1C2CCC1CN(C1(CN)CCSC1)CC2.
What is the InChIKey of [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine?
The InChIKey is DMGMKNVVANJFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-15-11-2-3-12(15)8-16(6-4-11)13(9-14)5-7-17-10-13/h11-12H,2-10,14H2,1H3.
What are the key properties of [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine?
[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine has a molecular weight of 255.43 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 79175489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).