5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide

C10H17ClN2O2S2 — CID 120714003

IUPAC5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-4-12-8(3)6-13-17(14,15)9-5-7(2)10(11)16-9/h5,8,12-13H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyXNTMWNCMSRBKNW-MRVPVSSYSA-N
MW296.85 g/mol
LogP1.99
Rot. Bonds6

About 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide

5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide (PubChem CID 120714003) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
PubChem CID120714003
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-4-12-8(3)6-13-17(14,15)9-5-7(2)10(11)16-9/h5,8,12-13H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyXNTMWNCMSRBKNW-MRVPVSSYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 103099828
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120664525
5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 103099943
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120711958
5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 103100529
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
5-chloro-4-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 103100386

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide (CID 120714003) is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide is CCN[C@H](C)CNS(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is XNTMWNCMSRBKNW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-4-12-8(3)6-13-17(14,15)9-5-7(2)10(11)16-9/h5,8,12-13H,4,6H2,1-3H3/t8-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide?
5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 296.85 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 120714003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).