3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine

C11H24N2S — CID 43294678

IUPAC3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine
SMILESCCCCCN(C)C1(CN)CCSC1
InChIInChI=1S/C11H24N2S/c1-3-4-5-7-13(2)11(9-12)6-8-14-10-11/h3-10,12H2,1-2H3
InChIKeyFDGIESWIADBWPT-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine

3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine (PubChem CID 43294678) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine
PubChem CID43294678
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine
SMILESCCCCCN(C)C1(CN)CCSC1
InChIInChI=1S/C11H24N2S/c1-3-4-5-7-13(2)11(9-12)6-8-14-10-11/h3-10,12H2,1-2H3
InChIKeyFDGIESWIADBWPT-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(aminomethyl)-N-methyl-N-pentylthiolan-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

3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114995668
3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114996951
6,6,6-trifluoro-2-N,2-dimethyl-2-N-(thiolan-3-yl)hexane-1,2-diamine
CID 116535146
3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
2-methyl-N-(thiolan-2-ylmethyl)propan-2-amine
CID 58109886
4-(aminomethyl)-N,N-dimethylthian-4-amine
CID 61563056
N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine
CID 80585245
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine;ethane
CID 145087557
2-(aminomethyl)-N,N-dimethylthiolan-2-amine
CID 174638114
[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932626

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine (CID 43294678) is 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine is CCCCCN(C)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine?
The InChIKey is FDGIESWIADBWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-4-5-7-13(2)11(9-12)6-8-14-10-11/h3-10,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine?
3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine is sourced from PubChem (CID 43294678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).