4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine

C12H25N3S — CID 43296512

IUPAC4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine
SMILESCN1CCC(CN)(N(C)C2CCSC2)CC1
InChIInChI=1S/C12H25N3S/c1-14-6-4-12(10-13,5-7-14)15(2)11-3-8-16-9-11/h11H,3-10,13H2,1-2H3
InChIKeyMDFHFAZLCZNZAC-UHFFFAOYSA-N
MW243.42 g/mol
LogP0.85
Rot. Bonds3

About 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine

4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine (PubChem CID 43296512) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine
PubChem CID43296512
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine
SMILESCN1CCC(CN)(N(C)C2CCSC2)CC1
InChIInChI=1S/C12H25N3S/c1-14-6-4-12(10-13,5-7-14)15(2)11-3-8-16-9-11/h11H,3-10,13H2,1-2H3
InChIKeyMDFHFAZLCZNZAC-UHFFFAOYSA-N
XLogP0.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine (CID 43296512) is 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine is CN1CCC(CN)(N(C)C2CCSC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine?
The InChIKey is MDFHFAZLCZNZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-14-6-4-12(10-13,5-7-14)15(2)11-3-8-16-9-11/h11H,3-10,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine?
4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine has a molecular weight of 243.42 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 43296512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).