N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide

C9H18N2OS — CID 62352584

IUPACN-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
SMILESCSCCNCCC(=O)NC1CC1
InChIInChI=1S/C9H18N2OS/c1-13-7-6-10-5-4-9(12)11-8-2-3-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyLYNBNTSKYDVIKF-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.61
Rot. Bonds7

About N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide

N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide (PubChem CID 62352584) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
PubChem CID62352584
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
SMILESCSCCNCCC(=O)NC1CC1
InChIInChI=1S/C9H18N2OS/c1-13-7-6-10-5-4-9(12)11-8-2-3-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyLYNBNTSKYDVIKF-UHFFFAOYSA-N
XLogP0.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopentyl-3-methylsulfanylpropanamide
CID 60636725
N-methyl-3-(2-methylsulfanylethylamino)propanamide
CID 63967095
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N-cyclopropyl-3-(2-methylidenebutylamino)propanamide
CID 79394684
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide
CID 55098586
3-(cyanomethylamino)-N-cyclopropylpropanamide
CID 79394850
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
N-cyclopropyl-3-[2-(diethylamino)ethylamino]propanamide
CID 62627556
N-cyclopropyl-3-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179172
N,N'-dicyclopropylbutanediamide
CID 5225156

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide?
The IUPAC name of N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide (CID 62352584) is N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide is CSCCNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide?
The InChIKey is LYNBNTSKYDVIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-13-7-6-10-5-4-9(12)11-8-2-3-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide?
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide has a molecular weight of 202.32 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide is sourced from PubChem (CID 62352584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).