N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide

C10H18N2O2S2 — CID 115708210

IUPACN-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
SMILESCC(NCCCNS(C)(=O)=O)c1cccs1
InChIInChI=1S/C10H18N2O2S2/c1-9(10-5-3-8-15-10)11-6-4-7-12-16(2,13)14/h3,5,8-9,11-12H,4,6-7H2,1-2H3
InChIKeyFATFQPFQKMYKED-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.34
Rot. Bonds7

About N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide

N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide (PubChem CID 115708210) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
PubChem CID115708210
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC NameN-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
SMILESCC(NCCCNS(C)(=O)=O)c1cccs1
InChIInChI=1S/C10H18N2O2S2/c1-9(10-5-3-8-15-10)11-6-4-7-12-16(2,13)14/h3,5,8-9,11-12H,4,6-7H2,1-2H3
InChIKeyFATFQPFQKMYKED-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
CID 103776626
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
CID 102978164
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
CID 111331024

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide (CID 115708210) is N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide is CC(NCCCNS(C)(=O)=O)c1cccs1.
What is the InChIKey of N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide?
The InChIKey is FATFQPFQKMYKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-9(10-5-3-8-15-10)11-6-4-7-12-16(2,13)14/h3,5,8-9,11-12H,4,6-7H2,1-2H3.
What are the key properties of N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide?
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide has a molecular weight of 262.40 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 115708210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).