4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride

C9H19ClN2OS — CID 130653962

IUPAC4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNC1CCSC1
InChIInChI=1S/C9H18N2OS.ClH/c12-9-5-10-3-7(9)4-11-8-1-2-13-6-8;/h7-12H,1-6H2;1H
InChIKeyQPDYZPWELCIREU-UHFFFAOYSA-N
MW238.78 g/mol
LogP0.08
Rot. Bonds3

About 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride

4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 130653962) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID130653962
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNC1CCSC1
InChIInChI=1S/C9H18N2OS.ClH/c12-9-5-10-3-7(9)4-11-8-1-2-13-6-8;/h7-12H,1-6H2;1H
InChIKeyQPDYZPWELCIREU-UHFFFAOYSA-N
XLogP0.08
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-3-ylmethyl)thiolan-3-amine
CID 105442353
4-[[(2-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol
CID 130702525
4-[(thiolan-3-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532658
2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
CID 130951867
N-(piperidin-2-ylmethyl)thiolan-3-amine
CID 106634528
N-(oxan-4-ylmethyl)thiolan-3-amine
CID 63725208
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine
CID 115892654
(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
CID 90897311
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310

Frequently Asked Questions

What is the IUPAC name of 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride (CID 130653962) is 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNC1CCSC1.
What is the InChIKey of 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is QPDYZPWELCIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c12-9-5-10-3-7(9)4-11-8-1-2-13-6-8;/h7-12H,1-6H2;1H.
What are the key properties of 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride?
4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 130653962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).