4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride

C15H29ClN2O2S — CID 120901713

IUPAC4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride
SMILESCC1(CN2CCS(=O)(=O)C3(CCCCC3)C2)CCNC1.Cl
InChIInChI=1S/C15H28N2O2S.ClH/c1-14(7-8-16-11-14)12-17-9-10-20(18,19)15(13-17)5-3-2-4-6-15;/h16H,2-13H2,1H3;1H
InChIKeyOWAQFSKOJBYWCY-UHFFFAOYSA-N
MW336.93 g/mol
LogP1.84
Rot. Bonds2

About 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride

4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride (PubChem CID 120901713) has the molecular formula C15H29ClN2O2S and a molecular weight of 336.93 g/mol. Its IUPAC name is 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride
PubChem CID120901713
Molecular FormulaC15H29ClN2O2S
Molecular Weight336.93 g/mol
Exact Mass336.16
IUPAC Name4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride
SMILESCC1(CN2CCS(=O)(=O)C3(CCCCC3)C2)CCNC1.Cl
InChIInChI=1S/C15H28N2O2S.ClH/c1-14(7-8-16-11-14)12-17-9-10-20(18,19)15(13-17)5-3-2-4-6-15;/h16H,2-13H2,1H3;1H
InChIKeyOWAQFSKOJBYWCY-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.93
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride 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

3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120902688
4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120904295
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride
CID 120903643
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554
1-(azepan-1-yl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120897835
N,3-dimethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120904288
2-[(3-methylpyrrolidin-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decane;hydrochloride
CID 120904661
N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride
CID 120901243
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120900966
2-[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 120898244

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride?
The IUPAC name of 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride (CID 120901713) is 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride?
The canonical SMILES for 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride is CC1(CN2CCS(=O)(=O)C3(CCCCC3)C2)CCNC1.Cl.
What is the InChIKey of 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride?
The InChIKey is OWAQFSKOJBYWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S.ClH/c1-14(7-8-16-11-14)12-17-9-10-20(18,19)15(13-17)5-3-2-4-6-15;/h16H,2-13H2,1H3;1H.
What are the key properties of 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride?
4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride has a molecular weight of 336.93 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 120901713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).