N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride

C11H23ClN2O2S — CID 110012111

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCSC(CO)C(C)NC(=O)C1(C)CCCN1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-8(9(7-14)16-3)13-10(15)11(2)5-4-6-12-11;/h8-9,12,14H,4-7H2,1-3H3,(H,13,15);1H
InChIKeyDJFUBDSZUJBXLV-UHFFFAOYSA-N
MW282.84 g/mol
LogP0.78
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 110012111) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID110012111
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCSC(CO)C(C)NC(=O)C1(C)CCCN1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-8(9(7-14)16-3)13-10(15)11(2)5-4-6-12-11;/h8-9,12,14H,4-7H2,1-3H3,(H,13,15);1H
InChIKeyDJFUBDSZUJBXLV-UHFFFAOYSA-N
XLogP0.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide
CID 106161649
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975
1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 106161442
N-(3-hydroxy-2-methylpropyl)-2-methylpyrrolidine-2-carboxamide
CID 65036100
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106161551
(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 104596612
N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide
CID 66169338
N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide
CID 115747650
N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
CID 64605467
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 112702823
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 113368563

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride (CID 110012111) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride is CSC(CO)C(C)NC(=O)C1(C)CCCN1.Cl.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DJFUBDSZUJBXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S.ClH/c1-8(9(7-14)16-3)13-10(15)11(2)5-4-6-12-11;/h8-9,12,14H,4-7H2,1-3H3,(H,13,15);1H.
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 282.84 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 110012111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).