N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine

C11H22N2S — CID 123162880

IUPACN-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine
SMILESCSN1CCC(NCC=C(C)C)CC1
InChIInChI=1S/C11H22N2S/c1-10(2)4-7-12-11-5-8-13(14-3)9-6-11/h4,11-12H,5-9H2,1-3H3
InChIKeyRRRYYDQMOGVKID-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.28
Rot. Bonds4

About N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine

N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine (PubChem CID 123162880) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine
PubChem CID123162880
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine
SMILESCSN1CCC(NCC=C(C)C)CC1
InChIInChI=1S/C11H22N2S/c1-10(2)4-7-12-11-5-8-13(14-3)9-6-11/h4,11-12H,5-9H2,1-3H3
InChIKeyRRRYYDQMOGVKID-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine (CID 123162880) is N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine is CSN1CCC(NCC=C(C)C)CC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine?
The InChIKey is RRRYYDQMOGVKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-10(2)4-7-12-11-5-8-13(14-3)9-6-11/h4,11-12H,5-9H2,1-3H3.
What are the key properties of N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine?
N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine has a molecular weight of 214.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine is sourced from PubChem (CID 123162880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).