1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine

C13H27N3S — CID 114080155

IUPAC1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine
SMILESCC1SCCC1(CN)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H27N3S/c1-11-13(10-14,6-8-17-11)16-7-4-5-12(9-16)15(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyHKYNLRLQADHCEU-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.24
Rot. Bonds3

About 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine

1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 114080155) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID114080155
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine
SMILESCC1SCCC1(CN)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H27N3S/c1-11-13(10-14,6-8-17-11)16-7-4-5-12(9-16)15(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyHKYNLRLQADHCEU-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080128
1-[3-(aminomethyl)-2-methylthian-3-yl]-N,N-diethylpyrrolidin-3-amine
CID 79951028
[3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylthian-3-yl]methanamine
CID 79952030
[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080123
1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine
CID 82853075
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine
CID 114818204
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
[3-(4-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 79951737
[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79951129
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylthian-3-yl]methanamine
CID 79952514
[3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine
CID 79951432
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine (CID 114080155) is 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine is CC1SCCC1(CN)N1CCCC(N(C)C)C1.
What is the InChIKey of 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is HKYNLRLQADHCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-11-13(10-14,6-8-17-11)16-7-4-5-12(9-16)15(2)3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine?
1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 257.45 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 114080155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).