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

C14H28N2OS — CID 122570256

IUPACN-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine
SMILESCN1CCC(OCCCNC2CCCSC2)CC1
InChIInChI=1S/C14H28N2OS/c1-16-8-5-14(6-9-16)17-10-3-7-15-13-4-2-11-18-12-13/h13-15H,2-12H2,1H3
InChIKeyLOTIRVSQTPDIJY-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.97
Rot. Bonds6

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

N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine (PubChem CID 122570256) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine
PubChem CID122570256
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine
SMILESCN1CCC(OCCCNC2CCCSC2)CC1
InChIInChI=1S/C14H28N2OS/c1-16-8-5-14(6-9-16)17-10-3-7-15-13-4-2-11-18-12-13/h13-15H,2-12H2,1H3
InChIKeyLOTIRVSQTPDIJY-UHFFFAOYSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
N-(2-cyclopentyloxyethyl)thian-3-amine
CID 63825120
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
CID 62871060
N-(4-methylpentyl)thian-3-amine
CID 62871286
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(3-cyclohexyloxypropyl)thian-4-amine
CID 43394944
N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride
CID 115598277
(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
CID 94887182
(3S)-N-(3-methylbutyl)thian-3-amine
CID 94885631

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine (CID 122570256) is N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine is CN1CCC(OCCCNC2CCCSC2)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine?
The InChIKey is LOTIRVSQTPDIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-16-8-5-14(6-9-16)17-10-3-7-15-13-4-2-11-18-12-13/h13-15H,2-12H2,1H3.
What are the key properties of N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine?
N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine has a molecular weight of 272.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine is sourced from PubChem (CID 122570256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).