1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol

C11H16N2O3S — CID 81403977

IUPAC1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol
SMILESC[C@H](NC1CS(=O)(=O)CC1O)c1cccnc1
InChIInChI=1S/C11H16N2O3S/c1-8(9-3-2-4-12-5-9)13-10-6-17(15,16)7-11(10)14/h2-5,8,10-11,13-14H,6-7H2,1H3/t8-,10?,11?/m0/s1
InChIKeySANDZVRRDJZMCM-PUSIOWJLSA-N
MW256.33 g/mol
LogP-0.11
Rot. Bonds3

About 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol

1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol (PubChem CID 81403977) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol
PubChem CID81403977
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol
SMILESC[C@H](NC1CS(=O)(=O)CC1O)c1cccnc1
InChIInChI=1S/C11H16N2O3S/c1-8(9-3-2-4-12-5-9)13-10-6-17(15,16)7-11(10)14/h2-5,8,10-11,13-14H,6-7H2,1H3/t8-,10?,11?/m0/s1
InChIKeySANDZVRRDJZMCM-PUSIOWJLSA-N
XLogP-0.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol with MolForge

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Related Compounds

1,1-dioxo-N-[(1R)-1-pyridin-3-ylethyl]thian-4-amine
CID 81404409
1,1-dioxo-N-[(1S)-1-pyridin-3-ylethyl]thian-4-amine
CID 81406804
trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
CID 102733105
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
4-[1-(4-chlorophenyl)ethylamino]-1,1-dioxothiolan-3-ol
CID 60666002
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
(3S,4S)-4-(benzhydrylamino)-1,1-dioxothiolan-3-ol
CID 129323198
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163988
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine
CID 102671440
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol (CID 81403977) is 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol is C[C@H](NC1CS(=O)(=O)CC1O)c1cccnc1.
What is the InChIKey of 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol?
The InChIKey is SANDZVRRDJZMCM-PUSIOWJLSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(9-3-2-4-12-5-9)13-10-6-17(15,16)7-11(10)14/h2-5,8,10-11,13-14H,6-7H2,1H3/t8-,10?,11?/m0/s1.
What are the key properties of 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol?
1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol has a molecular weight of 256.33 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol is sourced from PubChem (CID 81403977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).