1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine

C13H27N3S — CID 103748347

IUPAC1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
SMILESCC(C)N1CCC(NCCN2CCSCC2)C1
InChIInChI=1S/C13H27N3S/c1-12(2)16-5-3-13(11-16)14-4-6-15-7-9-17-10-8-15/h12-14H,3-11H2,1-2H3
InChIKeySMFLJKBFQCLARV-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.11
Rot. Bonds5

About 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine

1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine (PubChem CID 103748347) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
PubChem CID103748347
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
SMILESCC(C)N1CCC(NCCN2CCSCC2)C1
InChIInChI=1S/C13H27N3S/c1-12(2)16-5-3-13(11-16)14-4-6-15-7-9-17-10-8-15/h12-14H,3-11H2,1-2H3
InChIKeySMFLJKBFQCLARV-UHFFFAOYSA-N
XLogP1.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-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

1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166963082
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115689185
1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 103783176
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104530558
3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine?
The IUPAC name of 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine (CID 103748347) is 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine is CC(C)N1CCC(NCCN2CCSCC2)C1.
What is the InChIKey of 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine?
The InChIKey is SMFLJKBFQCLARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-12(2)16-5-3-13(11-16)14-4-6-15-7-9-17-10-8-15/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine?
1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine has a molecular weight of 257.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 103748347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).