N-(1-oxothian-4-yl)oxolan-3-amine

C9H17NO2S — CID 80717719

IUPACN-(1-oxothian-4-yl)oxolan-3-amine
SMILESO=S1CCC(NC2CCOC2)CC1
InChIInChI=1S/C9H17NO2S/c11-13-5-2-8(3-6-13)10-9-1-4-12-7-9/h8-10H,1-7H2
InChIKeyWPQCKESWXXWMFU-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.28
Rot. Bonds2

About N-(1-oxothian-4-yl)oxolan-3-amine

N-(1-oxothian-4-yl)oxolan-3-amine (PubChem CID 80717719) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(1-oxothian-4-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1-oxothian-4-yl)oxolan-3-amine
PubChem CID80717719
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(1-oxothian-4-yl)oxolan-3-amine
SMILESO=S1CCC(NC2CCOC2)CC1
InChIInChI=1S/C9H17NO2S/c11-13-5-2-8(3-6-13)10-9-1-4-12-7-9/h8-10H,1-7H2
InChIKeyWPQCKESWXXWMFU-UHFFFAOYSA-N
XLogP0.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyloxolan-3-amine
CID 63331713
(3R)-N-cyclohexyloxolan-3-amine;hydrochloride
CID 166178208
N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine
CID 63335517
N-cycloheptyloxan-3-amine
CID 63359772
N-(3,5-dimethylcyclohexyl)-1-oxothian-4-amine
CID 64734603
N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 178157179
1-methyl-N-(oxolan-3-yl)azepan-4-amine
CID 80712996
N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine
CID 115752858
N-[(3R)-oxolan-3-yl]hydroxylamine
CID 124574155
N-cyclopentyloxan-4-amine
CID 28694035
N-(3-ethylcyclobutyl)oxolan-3-amine
CID 130644988
N-(6-bicyclo[3.1.0]hexanyl)oxolan-3-amine
CID 130684812

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothian-4-yl)oxolan-3-amine?
The IUPAC name of N-(1-oxothian-4-yl)oxolan-3-amine (CID 80717719) is N-(1-oxothian-4-yl)oxolan-3-amine.
What is the SMILES notation for N-(1-oxothian-4-yl)oxolan-3-amine?
The canonical SMILES for N-(1-oxothian-4-yl)oxolan-3-amine is O=S1CCC(NC2CCOC2)CC1.
What is the InChIKey of N-(1-oxothian-4-yl)oxolan-3-amine?
The InChIKey is WPQCKESWXXWMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13-5-2-8(3-6-13)10-9-1-4-12-7-9/h8-10H,1-7H2.
What are the key properties of N-(1-oxothian-4-yl)oxolan-3-amine?
N-(1-oxothian-4-yl)oxolan-3-amine has a molecular weight of 203.31 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothian-4-yl)oxolan-3-amine is sourced from PubChem (CID 80717719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).