3-hydroxy-3-[(sulfamoylamino)methyl]thiolane

C5H12N2O3S2 — CID 130742374

IUPAC3-hydroxy-3-[(sulfamoylamino)methyl]thiolane
SMILESNS(=O)(=O)NCC1(O)CCSC1
InChIInChI=1S/C5H12N2O3S2/c6-12(9,10)7-3-5(8)1-2-11-4-5/h7-8H,1-4H2,(H2,6,9,10)
InChIKeyCCVOLKDIRTXMQR-UHFFFAOYSA-N
MW212.30 g/mol
LogP-1.35
Rot. Bonds3

About 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane

3-hydroxy-3-[(sulfamoylamino)methyl]thiolane (PubChem CID 130742374) has the molecular formula C5H12N2O3S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane.

Molecular Properties

Compound Name3-hydroxy-3-[(sulfamoylamino)methyl]thiolane
PubChem CID130742374
Molecular FormulaC5H12N2O3S2
Molecular Weight212.30 g/mol
Exact Mass212.03
IUPAC Name3-hydroxy-3-[(sulfamoylamino)methyl]thiolane
SMILESNS(=O)(=O)NCC1(O)CCSC1
InChIInChI=1S/C5H12N2O3S2/c6-12(9,10)7-3-5(8)1-2-11-4-5/h7-8H,1-4H2,(H2,6,9,10)
InChIKeyCCVOLKDIRTXMQR-UHFFFAOYSA-N
XLogP-1.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide
CID 130645691
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
1-[(3-hydroxythiolan-3-yl)methyl]-3-propan-2-ylurea
CID 111597399
N-[(3-hydroxythiolan-3-yl)methyl]-2,2,4-trimethylpentanamide
CID 111970531
3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol
CID 115726349
3-ethyl-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylpentanamide
CID 111596922
N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
CID 166208940
2,6-difluoro-N-[(3-hydroxythiolan-3-yl)methyl]benzamide
CID 111597077
1-[(3-hydroxythiolan-3-yl)methyl]-3-(4-methylpentyl)urea
CID 111618516
(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol
CID 99636838
1-(azepan-1-yl)-3-[(3-hydroxythiolan-3-yl)methylamino]butan-1-one
CID 84589084
N-[(3-hydroxythiolan-3-yl)methyl]-5-methylpyridine-3-carboxamide
CID 111596832

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane?
The IUPAC name of 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane (CID 130742374) is 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane.
What is the SMILES notation for 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane?
The canonical SMILES for 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane is NS(=O)(=O)NCC1(O)CCSC1.
What is the InChIKey of 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane?
The InChIKey is CCVOLKDIRTXMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S2/c6-12(9,10)7-3-5(8)1-2-11-4-5/h7-8H,1-4H2,(H2,6,9,10).
What are the key properties of 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane?
3-hydroxy-3-[(sulfamoylamino)methyl]thiolane has a molecular weight of 212.30 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[(sulfamoylamino)methyl]thiolane is sourced from PubChem (CID 130742374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).