1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol

C9H18N2OS — CID 126990341

IUPAC1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol
SMILESCN1CCC(O)(CNC2CSC2)C1
InChIInChI=1S/C9H18N2OS/c1-11-3-2-9(12,7-11)6-10-8-4-13-5-8/h8,10,12H,2-7H2,1H3
InChIKeyDMHRUNXDTABXQQ-UHFFFAOYSA-N
MW202.32 g/mol
LogP-0.24
Rot. Bonds3

About 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol

1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol (PubChem CID 126990341) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol
PubChem CID126990341
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol
SMILESCN1CCC(O)(CNC2CSC2)C1
InChIInChI=1S/C9H18N2OS/c1-11-3-2-9(12,7-11)6-10-8-4-13-5-8/h8,10,12H,2-7H2,1H3
InChIKeyDMHRUNXDTABXQQ-UHFFFAOYSA-N
XLogP-0.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol 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-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1,4-dithiepan-6-amine
CID 56718142
(3S)-3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1-methylpyrrolidin-3-ol
CID 99777650
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol
CID 59504968
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
N-[(1,4-dimethylcyclohexyl)methyl]thietan-3-amine
CID 130640078
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
4-[(cyclopropylamino)methyl]-1-ethylpiperidin-4-ol
CID 39240029
3-butyl-1-methylpyrrolidin-3-ol
CID 65146565
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
N-[(1-propylcyclopropyl)methyl]thietan-3-amine
CID 155893734
3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-3-ol;dihydrochloride
CID 154913675

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol (CID 126990341) is 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol is CN1CCC(O)(CNC2CSC2)C1.
What is the InChIKey of 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol?
The InChIKey is DMHRUNXDTABXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-11-3-2-9(12,7-11)6-10-8-4-13-5-8/h8,10,12H,2-7H2,1H3.
What are the key properties of 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol?
1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol has a molecular weight of 202.32 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(thietan-3-ylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 126990341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).