[3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride

C8H13ClN4OS — CID 119485128

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2cnsn2)C1
InChIInChI=1S/C8H12N4OS.ClH/c9-3-6-1-2-12(5-6)8(13)7-4-10-14-11-7;/h4,6H,1-3,5,9H2;1H
InChIKeySIVRWFXVHMIJTH-UHFFFAOYSA-N
MW248.74 g/mol
LogP0.38
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride

[3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride (PubChem CID 119485128) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride
PubChem CID119485128
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2cnsn2)C1
InChIInChI=1S/C8H12N4OS.ClH/c9-3-6-1-2-12(5-6)8(13)7-4-10-14-11-7;/h4,6H,1-3,5,9H2;1H
InChIKeySIVRWFXVHMIJTH-UHFFFAOYSA-N
XLogP0.38
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 82691427
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
[3-(aminomethyl)pyrrolidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119486615
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950
(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 54886047
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(7-chloroquinolin-2-yl)methanone
CID 124611498
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride (CID 119485128) is [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride is Cl.NCC1CCN(C(=O)c2cnsn2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride?
The InChIKey is SIVRWFXVHMIJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS.ClH/c9-3-6-1-2-12(5-6)8(13)7-4-10-14-11-7;/h4,6H,1-3,5,9H2;1H.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride?
[3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride has a molecular weight of 248.74 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119485128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).