3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine

C8H13N3O3S — CID 102825761

IUPAC3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine
SMILESCS(=O)(=O)c1c(NCC2CC2)noc1N
InChIInChI=1S/C8H13N3O3S/c1-15(12,13)6-7(9)14-11-8(6)10-4-5-2-3-5/h5H,2-4,9H2,1H3,(H,10,11)
InChIKeyUWSPFTHCSHHADY-UHFFFAOYSA-N
MW231.28 g/mol
LogP0.48
Rot. Bonds4

About 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine

3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine (PubChem CID 102825761) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine
PubChem CID102825761
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine
SMILESCS(=O)(=O)c1c(NCC2CC2)noc1N
InChIInChI=1S/C8H13N3O3S/c1-15(12,13)6-7(9)14-11-8(6)10-4-5-2-3-5/h5H,2-4,9H2,1H3,(H,10,11)
InChIKeyUWSPFTHCSHHADY-UHFFFAOYSA-N
XLogP0.48
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine (CID 102825761) is 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine is CS(=O)(=O)c1c(NCC2CC2)noc1N.
What is the InChIKey of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine?
The InChIKey is UWSPFTHCSHHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-15(12,13)6-7(9)14-11-8(6)10-4-5-2-3-5/h5H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine?
3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine has a molecular weight of 231.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-oxazole-3,5-diamine is sourced from PubChem (CID 102825761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).