4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine

C11H19N3OS — CID 115905222

IUPAC4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine
SMILESCC(CCC1CCCO1)NCc1csnn1
InChIInChI=1S/C11H19N3OS/c1-9(4-5-11-3-2-6-15-11)12-7-10-8-16-14-13-10/h8-9,11-12H,2-7H2,1H3
InChIKeyGUOQVDBYELPMDL-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.98
Rot. Bonds6

About 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine

4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine (PubChem CID 115905222) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine
PubChem CID115905222
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine
SMILESCC(CCC1CCCO1)NCc1csnn1
InChIInChI=1S/C11H19N3OS/c1-9(4-5-11-3-2-6-15-11)12-7-10-8-16-14-13-10/h8-9,11-12H,2-7H2,1H3
InChIKeyGUOQVDBYELPMDL-UHFFFAOYSA-N
XLogP1.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine
CID 75380778
4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
CID 115607813
1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine
CID 43745591
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-4-[(2S)-oxolan-2-yl]butan-2-amine
CID 97211565
6-methyl-N-[2-(oxolan-2-yl)ethyl]heptan-2-amine
CID 65163408
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
N-ethyl-1-(oxolan-2-yl)-5-pyridin-2-ylpentan-3-amine
CID 105156934
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993701
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine?
The IUPAC name of 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine (CID 115905222) is 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine?
The canonical SMILES for 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine is CC(CCC1CCCO1)NCc1csnn1.
What is the InChIKey of 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine?
The InChIKey is GUOQVDBYELPMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(4-5-11-3-2-6-15-11)12-7-10-8-16-14-13-10/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine?
4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 115905222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).