N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide

C9H16N2O3S2 — CID 60909200

IUPACN-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)c1cccs1
InChIInChI=1S/C9H16N2O3S2/c1-16(13,14)11-5-4-10-7-8(12)9-3-2-6-15-9/h2-3,6,8,10-12H,4-5,7H2,1H3
InChIKeyFLQKAFCYCREQIZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP-0.08
Rot. Bonds7

About N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide

N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide (PubChem CID 60909200) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
PubChem CID60909200
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC NameN-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)c1cccs1
InChIInChI=1S/C9H16N2O3S2/c1-16(13,14)11-5-4-10-7-8(12)9-3-2-6-15-9/h2-3,6,8,10-12H,4-5,7H2,1H3
InChIKeyFLQKAFCYCREQIZ-UHFFFAOYSA-N
XLogP-0.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide
CID 113221919
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide
CID 60909343
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol
CID 60898378
N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
CID 113293230
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide
CID 113227942

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide (CID 60909200) is N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC(O)c1cccs1.
What is the InChIKey of N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide?
The InChIKey is FLQKAFCYCREQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-16(13,14)11-5-4-10-7-8(12)9-3-2-6-15-9/h2-3,6,8,10-12H,4-5,7H2,1H3.
What are the key properties of N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide?
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide has a molecular weight of 264.37 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 60909200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).