N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide

C10H18N2O3S2 — CID 113221919

IUPACN-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCC(O)c1cccs1
InChIInChI=1S/C10H18N2O3S2/c1-17(14,15)12-6-3-5-11-8-9(13)10-4-2-7-16-10/h2,4,7,9,11-13H,3,5-6,8H2,1H3
InChIKeyVPNMFLSPNAUVKQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.31
Rot. Bonds8

About N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide

N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide (PubChem CID 113221919) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide
PubChem CID113221919
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC NameN-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCC(O)c1cccs1
InChIInChI=1S/C10H18N2O3S2/c1-17(14,15)12-6-3-5-11-8-9(13)10-4-2-7-16-10/h2,4,7,9,11-13H,3,5-6,8H2,1H3
InChIKeyVPNMFLSPNAUVKQ-UHFFFAOYSA-N
XLogP0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.31
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-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
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-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide
CID 79394046
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
3-(2-thiophen-2-ylpropylamino)propane-1-sulfonic acid
CID 87816922
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide
CID 90500302

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide (CID 113221919) is N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNCC(O)c1cccs1.
What is the InChIKey of N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide?
The InChIKey is VPNMFLSPNAUVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-17(14,15)12-6-3-5-11-8-9(13)10-4-2-7-16-10/h2,4,7,9,11-13H,3,5-6,8H2,1H3.
What are the key properties of N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide?
N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 113221919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).