N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide

C11H23N3OS — CID 106915798

IUPACN,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide
SMILESCNC(=O)C(C)CN(C)C1CNCC1SC
InChIInChI=1S/C11H23N3OS/c1-8(11(15)12-2)7-14(3)9-5-13-6-10(9)16-4/h8-10,13H,5-7H2,1-4H3,(H,12,15)
InChIKeyLVINGYGOSSGBAK-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.00
Rot. Bonds5

About N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide

N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide (PubChem CID 106915798) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide
PubChem CID106915798
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC NameN,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide
SMILESCNC(=O)C(C)CN(C)C1CNCC1SC
InChIInChI=1S/C11H23N3OS/c1-8(11(15)12-2)7-14(3)9-5-13-6-10(9)16-4/h8-10,13H,5-7H2,1-4H3,(H,12,15)
InChIKeyLVINGYGOSSGBAK-UHFFFAOYSA-N
XLogP0.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-[methyl(piperidin-4-yl)amino]propanamide
CID 106915781
3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide
CID 106914920
N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine
CID 82759839
N,2-dimethyl-3-[methyl(pyrrolidin-3-ylsulfonyl)amino]propanamide
CID 106918335
(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119818675
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916274
N,2-dimethyl-3-[methyl(1-piperidin-2-ylpropan-2-yl)amino]propanamide
CID 106918384
N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 82760083
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119818677
5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid
CID 103932710

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide (CID 106915798) is N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide is CNC(=O)C(C)CN(C)C1CNCC1SC.
What is the InChIKey of N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide?
The InChIKey is LVINGYGOSSGBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-8(11(15)12-2)7-14(3)9-5-13-6-10(9)16-4/h8-10,13H,5-7H2,1-4H3,(H,12,15).
What are the key properties of N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide?
N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide has a molecular weight of 245.39 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-(4-methylsulfanylpyrrolidin-3-yl)amino]propanamide is sourced from PubChem (CID 106915798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).