N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide

C11H23NO2S2 — CID 129153519

IUPACN-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide
SMILESCC[C@@H](CN(C)S(=O)(=O)C1CC1)C(C)SC
InChIInChI=1S/C11H23NO2S2/c1-5-10(9(2)15-4)8-12(3)16(13,14)11-6-7-11/h9-11H,5-8H2,1-4H3/t9?,10-/m0/s1
InChIKeyDZFBKGWLQQAZLU-AXDSSHIGSA-N
MW265.44 g/mol
LogP2.19
Rot. Bonds7

About N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide

N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide (PubChem CID 129153519) has the molecular formula C11H23NO2S2 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide
PubChem CID129153519
Molecular FormulaC11H23NO2S2
Molecular Weight265.44 g/mol
Exact Mass265.12
IUPAC NameN-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide
SMILESCC[C@@H](CN(C)S(=O)(=O)C1CC1)C(C)SC
InChIInChI=1S/C11H23NO2S2/c1-5-10(9(2)15-4)8-12(3)16(13,14)11-6-7-11/h9-11H,5-8H2,1-4H3/t9?,10-/m0/s1
InChIKeyDZFBKGWLQQAZLU-AXDSSHIGSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide
CID 58821461
N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropanesulfonamide
CID 64554742
3-[cyclohexylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 55008516
N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide
CID 70870752
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-4-sulfonamide
CID 62048631
N-(3-bromopropyl)-N-methylcyclopropanesulfonamide
CID 106441788
N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide
CID 64554271
3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 64552405
N-(2-chloro-3-ethylpentyl)cyclopropanesulfonamide
CID 106288751
2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid
CID 64552825
methyl 2-[[(2S)-butan-2-yl]-cyclopropylsulfonylamino]acetate
CID 129434074
N-methyl-N-(oxan-4-ylmethyl)piperidine-4-sulfonamide
CID 55225683

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide (CID 129153519) is N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide is CC[C@@H](CN(C)S(=O)(=O)C1CC1)C(C)SC.
What is the InChIKey of N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide?
The InChIKey is DZFBKGWLQQAZLU-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H23NO2S2/c1-5-10(9(2)15-4)8-12(3)16(13,14)11-6-7-11/h9-11H,5-8H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide?
N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide has a molecular weight of 265.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethyl-3-methylsulfanylbutyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 129153519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).