3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol

C9H19NO2S — CID 111543956

IUPAC3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol
SMILESCN(CCCO)C1CCS(=O)CC1
InChIInChI=1S/C9H19NO2S/c1-10(5-2-6-11)9-3-7-13(12)8-4-9/h9,11H,2-8H2,1H3
InChIKeyKEHICYYVLPLQIH-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.21
Rot. Bonds4

About 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol

3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol (PubChem CID 111543956) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol
PubChem CID111543956
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol
SMILESCN(CCCO)C1CCS(=O)CC1
InChIInChI=1S/C9H19NO2S/c1-10(5-2-6-11)9-3-7-13(12)8-4-9/h9,11H,2-8H2,1H3
InChIKeyKEHICYYVLPLQIH-UHFFFAOYSA-N
XLogP0.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-Methylsulfonylethyl)piperidin-1-yl]propan-1-ol
CID 53810602
(4-Tert-butyl-1-oxo-1,4-thiazinan-2-yl)methanol
CID 89987915
(4-Tert-butyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol
CID 89987923
(4-Methyl-1-oxo-1,4-thiazinan-2-yl)methanol
CID 89989611
2-(1-Oxo-1,4-thiazinan-4-yl)butan-1-ol
CID 154680418
(4-Propan-2-ylthiomorpholin-2-yl)methanol
CID 172588460
[(3S)-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-yl]methanol
CID 175635356
3-[(1,1-Dioxothiolan-3-yl)-methylamino]propan-1-ol
CID 43410637
N-(3-hydroxypropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide
CID 55032394
3-[(1-Oxothian-4-yl)amino]propan-1-ol
CID 61565245
3-[2-Ethylsulfonylethyl(propan-2-yl)amino]propan-1-ol
CID 62014244
3-[(1,1-Dioxothiolan-3-yl)-propan-2-ylamino]propan-1-ol
CID 62014441

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol (CID 111543956) is 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol is CN(CCCO)C1CCS(=O)CC1.
What is the InChIKey of 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol?
The InChIKey is KEHICYYVLPLQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-10(5-2-6-11)9-3-7-13(12)8-4-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol?
3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol has a molecular weight of 205.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol is sourced from PubChem (CID 111543956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).