[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol

C8H15NO3S — CID 131041538

IUPAC[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol
SMILESO=S1(=O)CCC(NC2CC2CO)C1
InChIInChI=1S/C8H15NO3S/c10-4-6-3-8(6)9-7-1-2-13(11,12)5-7/h6-10H,1-5H2
InChIKeyBEDNWUGXCAAXMA-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.86
Rot. Bonds3

About [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol

[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol (PubChem CID 131041538) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol
PubChem CID131041538
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol
SMILESO=S1(=O)CCC(NC2CC2CO)C1
InChIInChI=1S/C8H15NO3S/c10-4-6-3-8(6)9-7-1-2-13(11,12)5-7/h6-10H,1-5H2
InChIKeyBEDNWUGXCAAXMA-UHFFFAOYSA-N
XLogP-0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
CID 104866380
[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol
CID 106359448
4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol
CID 60896483
N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
CID 115707658
N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 63993922
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851114
N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
CID 43757116
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol (CID 131041538) is [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol is O=S1(=O)CCC(NC2CC2CO)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol?
The InChIKey is BEDNWUGXCAAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c10-4-6-3-8(6)9-7-1-2-13(11,12)5-7/h6-10H,1-5H2.
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol?
[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol has a molecular weight of 205.28 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol is sourced from PubChem (CID 131041538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).