N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide

C10H18N2O2S2 — CID 115598596

IUPACN-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNCc1ccsc1
InChIInChI=1S/C10H18N2O2S2/c1-2-16(13,14)12-6-3-5-11-8-10-4-7-15-9-10/h4,7,9,11-12H,2-3,5-6,8H2,1H3
InChIKeyAESOJPIWTSPEJX-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.17
Rot. Bonds8

About N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide

N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide (PubChem CID 115598596) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide
PubChem CID115598596
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC NameN-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNCc1ccsc1
InChIInChI=1S/C10H18N2O2S2/c1-2-16(13,14)12-6-3-5-11-8-10-4-7-15-9-10/h4,7,9,11-12H,2-3,5-6,8H2,1H3
InChIKeyAESOJPIWTSPEJX-UHFFFAOYSA-N
XLogP1.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.17
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-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
2-tert-butylsulfonyl-N-(thiophen-3-ylmethyl)ethanamine
CID 115625750
5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 107320001
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
CID 115615759
2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 114140725
N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
3-(propan-2-ylamino)-N-(2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 54972108
N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide
CID 115607773
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide (CID 115598596) is N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide is CCS(=O)(=O)NCCCNCc1ccsc1.
What is the InChIKey of N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide?
The InChIKey is AESOJPIWTSPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-2-16(13,14)12-6-3-5-11-8-10-4-7-15-9-10/h4,7,9,11-12H,2-3,5-6,8H2,1H3.
What are the key properties of N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide?
N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide has a molecular weight of 262.40 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide is sourced from PubChem (CID 115598596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).