tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate

C15H26N4O4S2 — CID 665342

IUPACtert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1
InChIInChI=1S/C15H26N4O4S2/c1-15(2,3)23-13(21)16-10(7-8-24-6)12-17-18-14(22-12)25-9-11(20)19(4)5/h10H,7-9H2,1-6H3,(H,16,21)/t10-/m0/s1
InChIKeyXZFNTEGVNYCVRR-JTQLQIEISA-N
MW390.53 g/mol
LogP2.57
Rot. Bonds8

About tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate

tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate (PubChem CID 665342) has the molecular formula C15H26N4O4S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
PubChem CID665342
Molecular FormulaC15H26N4O4S2
Molecular Weight390.53 g/mol
Exact Mass390.14
IUPAC Nametert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1
InChIInChI=1S/C15H26N4O4S2/c1-15(2,3)23-13(21)16-10(7-8-24-6)12-17-18-14(22-12)25-9-11(20)19(4)5/h10H,7-9H2,1-6H3,(H,16,21)/t10-/m0/s1
InChIKeyXZFNTEGVNYCVRR-JTQLQIEISA-N
XLogP2.57
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate (CID 665342) is tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate is CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1.
What is the InChIKey of tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate?
The InChIKey is XZFNTEGVNYCVRR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H26N4O4S2/c1-15(2,3)23-13(21)16-10(7-8-24-6)12-17-18-14(22-12)25-9-11(20)19(4)5/h10H,7-9H2,1-6H3,(H,16,21)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate?
tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate has a molecular weight of 390.53 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate is sourced from PubChem (CID 665342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).