3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine

C13H27N3S — CID 55175382

IUPAC3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine
SMILESCN1CCC(CN(C)C2(CN)CCSC2)CC1
InChIInChI=1S/C13H27N3S/c1-15-6-3-12(4-7-15)9-16(2)13(10-14)5-8-17-11-13/h12H,3-11,14H2,1-2H3
InChIKeyRTFSRHQCLWPCTJ-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.09
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine

3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine (PubChem CID 55175382) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine
PubChem CID55175382
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine
SMILESCN1CCC(CN(C)C2(CN)CCSC2)CC1
InChIInChI=1S/C13H27N3S/c1-15-6-3-12(4-7-15)9-16(2)13(10-14)5-8-17-11-13/h12H,3-11,14H2,1-2H3
InChIKeyRTFSRHQCLWPCTJ-UHFFFAOYSA-N
XLogP1.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-amine
CID 55175188
3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine
CID 62873285
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63233140
1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 63275986
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thian-4-amine
CID 79303837
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methyloxan-4-amine
CID 60984888
4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
CID 65076127
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 81467794
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65076225
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)thiolan-3-amine
CID 43295596

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine (CID 55175382) is 3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine is CN1CCC(CN(C)C2(CN)CCSC2)CC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine?
The InChIKey is RTFSRHQCLWPCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-15-6-3-12(4-7-15)9-16(2)13(10-14)5-8-17-11-13/h12H,3-11,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine?
3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine has a molecular weight of 257.45 g/mol, XLogP of 1.09, 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-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 55175382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).