N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine

C14H29N3S — CID 62872399

IUPACN-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)C2(CN)CCCSC2)CC1
InChIInChI=1S/C14H29N3S/c1-3-17-8-5-13(6-9-17)16(2)14(11-15)7-4-10-18-12-14/h13H,3-12,15H2,1-2H3
InChIKeyLYKPEOJANHTCGD-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.63
Rot. Bonds4

About N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine

N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 62872399) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID62872399
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC NameN-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)C2(CN)CCCSC2)CC1
InChIInChI=1S/C14H29N3S/c1-3-17-8-5-13(6-9-17)16(2)14(11-15)7-4-10-18-12-14/h13H,3-12,15H2,1-2H3
InChIKeyLYKPEOJANHTCGD-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine (CID 62872399) is N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)C2(CN)CCCSC2)CC1.
What is the InChIKey of N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is LYKPEOJANHTCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-3-17-8-5-13(6-9-17)16(2)14(11-15)7-4-10-18-12-14/h13H,3-12,15H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine?
N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 271.47 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 62872399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).