(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride

C12H18ClN3O2S — CID 119298879

IUPAC(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCN(C(=O)c2ccsc2)CC1.Cl
InChIInChI=1S/C12H17N3O2S.ClH/c1-9(13)11(16)14-3-5-15(6-4-14)12(17)10-2-7-18-8-10;/h2,7-9H,3-6,13H2,1H3;1H/t9-;/m0./s1
InChIKeyYPCWZRSAACYTKC-FVGYRXGTSA-N
MW303.81 g/mol
LogP0.80
Rot. Bonds2

About (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride

(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 119298879) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID119298879
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCN(C(=O)c2ccsc2)CC1.Cl
InChIInChI=1S/C12H17N3O2S.ClH/c1-9(13)11(16)14-3-5-15(6-4-14)12(17)10-2-7-18-8-10;/h2,7-9H,3-6,13H2,1H3;1H/t9-;/m0./s1
InChIKeyYPCWZRSAACYTKC-FVGYRXGTSA-N
XLogP0.80
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298897
2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 65227352
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 60962811
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
(2R)-2-amino-4-methylsulfanyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 104907865
2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298888
2-methyl-3-(methylamino)-1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738850
2-[4-(thiophene-3-carbonyl)piperazin-1-yl]propanethioamide
CID 55201014
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279414
(2S)-2-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282099

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 119298879) is (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCN(C(=O)c2ccsc2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is YPCWZRSAACYTKC-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H17N3O2S.ClH/c1-9(13)11(16)14-3-5-15(6-4-14)12(17)10-2-7-18-8-10;/h2,7-9H,3-6,13H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 303.81 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119298879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).