N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide

C11H18N2O2S2 — CID 100627668

IUPACN-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide
SMILESNC[C@@H](NS(=O)(=O)CCc1cccs1)C1CC1
InChIInChI=1S/C11H18N2O2S2/c12-8-11(9-3-4-9)13-17(14,15)7-5-10-2-1-6-16-10/h1-2,6,9,11,13H,3-5,7-8,12H2/t11-/m1/s1
InChIKeyYHGMEONUQRNLKB-LLVKDONJSA-N
MW274.41 g/mol
LogP0.95
Rot. Bonds7

About N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide

N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide (PubChem CID 100627668) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide
PubChem CID100627668
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide
SMILESNC[C@@H](NS(=O)(=O)CCc1cccs1)C1CC1
InChIInChI=1S/C11H18N2O2S2/c12-8-11(9-3-4-9)13-17(14,15)7-5-10-2-1-6-16-10/h1-2,6,9,11,13H,3-5,7-8,12H2/t11-/m1/s1
InChIKeyYHGMEONUQRNLKB-LLVKDONJSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methyl-2-thiophenesulfonamide
CID 2241003
N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide
CID 712013
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonamide
CID 43134135
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylthiophene-3-sulfonamide
CID 43598158
N-((1-(thiophen-2-yl)cyclopropyl)methyl)cyclopropanesulfonamide
CID 45561591
2-[2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene
CID 45897898
N-{2-[4-(Thiophen-2-YL)piperidin-1-YL]ethyl}cyclopropanesulfonamide
CID 71787100
2-[2-Methyl-3-(sulfamoylamino)propyl]thiophene
CID 71997360
N-[(1-aminocyclobutyl)methyl]-5-methylthiophene-2-sulfonamide
CID 104438013
N-(2-amino-1-cyclopropylethyl)-2-thiophen-2-ylethanesulfonamide
CID 119038717
N-cyclopropyl-2,5-dimethylthiophene-3-sulfonamide
CID 718923
5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide
CID 106215404

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide?
The IUPAC name of N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide (CID 100627668) is N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide.
What is the SMILES notation for N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide?
The canonical SMILES for N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide is NC[C@@H](NS(=O)(=O)CCc1cccs1)C1CC1.
What is the InChIKey of N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide?
The InChIKey is YHGMEONUQRNLKB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c12-8-11(9-3-4-9)13-17(14,15)7-5-10-2-1-6-16-10/h1-2,6,9,11,13H,3-5,7-8,12H2/t11-/m1/s1.
What are the key properties of N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide?
N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide is sourced from PubChem (CID 100627668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).