(2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride

C9H20ClN3OS — CID 70514522

IUPAC(2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride
SMILESCCSC[C@H](N)C(=O)NN1CCCC1.Cl
InChIInChI=1S/C9H19N3OS.ClH/c1-2-14-7-8(10)9(13)11-12-5-3-4-6-12;/h8H,2-7,10H2,1H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyYHILZTCNKAKNHI-QRPNPIFTSA-N
MW253.80 g/mol
LogP0.62
Rot. Bonds5

About (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride

(2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride (PubChem CID 70514522) has the molecular formula C9H20ClN3OS and a molecular weight of 253.80 g/mol. Its IUPAC name is (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride
PubChem CID70514522
Molecular FormulaC9H20ClN3OS
Molecular Weight253.80 g/mol
Exact Mass253.10
IUPAC Name(2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride
SMILESCCSC[C@H](N)C(=O)NN1CCCC1.Cl
InChIInChI=1S/C9H19N3OS.ClH/c1-2-14-7-8(10)9(13)11-12-5-3-4-6-12;/h8H,2-7,10H2,1H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyYHILZTCNKAKNHI-QRPNPIFTSA-N
XLogP0.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride (CID 70514522) is (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride is CCSC[C@H](N)C(=O)NN1CCCC1.Cl.
What is the InChIKey of (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride?
The InChIKey is YHILZTCNKAKNHI-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H19N3OS.ClH/c1-2-14-7-8(10)9(13)11-12-5-3-4-6-12;/h8H,2-7,10H2,1H3,(H,11,13);1H/t8-;/m0./s1.
What are the key properties of (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride?
(2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride has a molecular weight of 253.80 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 70514522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).