N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine

C12H23N3O2S2 — CID 105112917

IUPACN-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
SMILESCCCc1nnsc1C(CCCS(C)(=O)=O)NCC
InChIInChI=1S/C12H23N3O2S2/c1-4-7-11-12(18-15-14-11)10(13-5-2)8-6-9-19(3,16)17/h10,13H,4-9H2,1-3H3
InChIKeyCRTGESWJTLRHQF-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.97
Rot. Bonds9

About N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine

N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine (PubChem CID 105112917) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
PubChem CID105112917
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC NameN-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
SMILESCCCc1nnsc1C(CCCS(C)(=O)=O)NCC
InChIInChI=1S/C12H23N3O2S2/c1-4-7-11-12(18-15-14-11)10(13-5-2)8-6-9-19(3,16)17/h10,13H,4-9H2,1-3H3
InChIKeyCRTGESWJTLRHQF-UHFFFAOYSA-N
XLogP1.97
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine
CID 105152683
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174390
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine
CID 105179701
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-en-1-amine
CID 105153232
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923316
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105113420
[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
CID 105291025
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 105112925
N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113033
3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine
CID 114984252
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine (CID 105112917) is N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine is CCCc1nnsc1C(CCCS(C)(=O)=O)NCC.
What is the InChIKey of N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine?
The InChIKey is CRTGESWJTLRHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-4-7-11-12(18-15-14-11)10(13-5-2)8-6-9-19(3,16)17/h10,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine?
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105112917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).