N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine

C12H25N3S — CID 103815455

IUPACN-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CCN2CCSCC2)C1
InChIInChI=1S/C12H25N3S/c1-13-10-12-2-3-15(11-12)5-4-14-6-8-16-9-7-14/h12-13H,2-11H2,1H3
InChIKeyXVZZOFMNUBCWCD-UHFFFAOYSA-N
MW243.42 g/mol
LogP0.58
Rot. Bonds5

About N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine (PubChem CID 103815455) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
PubChem CID103815455
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC NameN-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CCN2CCSCC2)C1
InChIInChI=1S/C12H25N3S/c1-13-10-12-2-3-15(11-12)5-4-14-6-8-16-9-7-14/h12-13H,2-11H2,1H3
InChIKeyXVZZOFMNUBCWCD-UHFFFAOYSA-N
XLogP0.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine 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

1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103815407
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119922597
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922056
1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62615965
1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62513783
N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine
CID 102906426
3-[3-(methylaminomethyl)piperidin-1-yl]propanal
CID 63041305
N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173706
N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173752
1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55081380

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine (CID 103815455) is N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(CCN2CCSCC2)C1.
What is the InChIKey of N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is XVZZOFMNUBCWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-13-10-12-2-3-15(11-12)5-4-14-6-8-16-9-7-14/h12-13H,2-11H2,1H3.
What are the key properties of N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 243.42 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 103815455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).