N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine

C10H17N3OS — CID 105147610

IUPACN-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnsn1)C1CCOC1
InChIInChI=1S/C10H17N3OS/c1-2-4-11-10(8-3-5-14-7-8)9-6-12-15-13-9/h6,8,10-11H,2-5,7H2,1H3
InChIKeyVRPCWKYTBKECOV-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.62
Rot. Bonds5

About N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine

N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (PubChem CID 105147610) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
PubChem CID105147610
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnsn1)C1CCOC1
InChIInChI=1S/C10H17N3OS/c1-2-4-11-10(8-3-5-14-7-8)9-6-12-15-13-9/h6,8,10-11H,2-5,7H2,1H3
InChIKeyVRPCWKYTBKECOV-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105147508
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423
N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107978055
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65330638
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
N-[cycloocten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 106653224
N-[(2,6-difluoro-3-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 82822964
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775
3-(oxolan-2-yl)-N-propyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105156903

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (CID 105147610) is N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is CCCNC(c1cnsn1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The InChIKey is VRPCWKYTBKECOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-4-11-10(8-3-5-14-7-8)9-6-12-15-13-9/h6,8,10-11H,2-5,7H2,1H3.
What are the key properties of N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105147610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).