5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole

C14H26N4O3S — CID 95299593

IUPAC5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)o1
InChIInChI=1S/C14H26N4O3S/c1-14(2,3)12-8-16-13(21-12)10-18-6-4-5-11(9-18)7-17-22(15,19)20/h8,11,17H,4-7,9-10H2,1-3H3,(H2,15,19,20)/t11-/m0/s1
InChIKeyBCQJTXXVOWFITL-NSHDSACASA-N
MW330.45 g/mol
LogP0.98
Rot. Bonds5

About 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole

5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 95299593) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID95299593
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC Name5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)o1
InChIInChI=1S/C14H26N4O3S/c1-14(2,3)12-8-16-13(21-12)10-18-6-4-5-11(9-18)7-17-22(15,19)20/h8,11,17H,4-7,9-10H2,1-3H3,(H2,15,19,20)/t11-/m0/s1
InChIKeyBCQJTXXVOWFITL-NSHDSACASA-N
XLogP0.98
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole (CID 95299593) is 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole is CC(C)(C)c1cnc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)o1.
What is the InChIKey of 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is BCQJTXXVOWFITL-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-14(2,3)12-8-16-13(21-12)10-18-6-4-5-11(9-18)7-17-22(15,19)20/h8,11,17H,4-7,9-10H2,1-3H3,(H2,15,19,20)/t11-/m0/s1.
What are the key properties of 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 330.45 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95299593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).