N-(pyrrolidin-3-ylmethyl)thiolan-3-amine

C9H18N2S — CID 105442353

IUPACN-(pyrrolidin-3-ylmethyl)thiolan-3-amine
SMILESC1CC(CNC2CCSC2)CN1
InChIInChI=1S/C9H18N2S/c1-3-10-5-8(1)6-11-9-2-4-12-7-9/h8-11H,1-7H2
InChIKeyOPUXFMIIRHHSLL-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.69
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)thiolan-3-amine

N-(pyrrolidin-3-ylmethyl)thiolan-3-amine (PubChem CID 105442353) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)thiolan-3-amine
PubChem CID105442353
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-(pyrrolidin-3-ylmethyl)thiolan-3-amine
SMILESC1CC(CNC2CCSC2)CN1
InChIInChI=1S/C9H18N2S/c1-3-10-5-8(1)6-11-9-2-4-12-7-9/h8-11H,1-7H2
InChIKeyOPUXFMIIRHHSLL-UHFFFAOYSA-N
XLogP0.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(pyrrolidin-3-ylmethyl)thiolan-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-(pyrrolidin-3-ylmethyl)cyclopropanamine;dihydrochloride
CID 139036091
N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 63006333
N-(oxan-4-ylmethyl)thiolan-3-amine
CID 63725208
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851
(3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine
CID 164653873
N-(piperidin-2-ylmethyl)thiolan-3-amine
CID 106634528
3-methyl-N-(pyrrolidin-3-ylmethyl)cyclopentan-1-amine
CID 114547367
4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride
CID 130653962
N-(cyclopropylmethyl)pyrrolidin-3-amine
CID 53350336
4-[(thiolan-3-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532658
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102
N-(thiolan-3-yl)pyrrolidine-3-carboxamide
CID 103811764

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)thiolan-3-amine?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)thiolan-3-amine (CID 105442353) is N-(pyrrolidin-3-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)thiolan-3-amine is C1CC(CNC2CCSC2)CN1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)thiolan-3-amine?
The InChIKey is OPUXFMIIRHHSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-10-5-8(1)6-11-9-2-4-12-7-9/h8-11H,1-7H2.
What are the key properties of N-(pyrrolidin-3-ylmethyl)thiolan-3-amine?
N-(pyrrolidin-3-ylmethyl)thiolan-3-amine has a molecular weight of 186.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 105442353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).