N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide

C8H14N2O2S2 — CID 124506403

IUPACN-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)CC)c1nccs1
InChIInChI=1S/C8H14N2O2S2/c1-3-7(8-9-5-6-13-8)10-14(11,12)4-2/h5-7,10H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyLATVDNIVFHFDJL-SSDOTTSWSA-N
MW234.35 g/mol
LogP1.53
Rot. Bonds5

About N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide

N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide (PubChem CID 124506403) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
PubChem CID124506403
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)CC)c1nccs1
InChIInChI=1S/C8H14N2O2S2/c1-3-7(8-9-5-6-13-8)10-14(11,12)4-2/h5-7,10H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyLATVDNIVFHFDJL-SSDOTTSWSA-N
XLogP1.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 122564380
3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide
CID 79585893
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092
2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 81435158
5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 79941148
4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79180058
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79884780
4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
CID 124606976

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide?
The IUPAC name of N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide (CID 124506403) is N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide?
The canonical SMILES for N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide is CC[C@@H](NS(=O)(=O)CC)c1nccs1.
What is the InChIKey of N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide?
The InChIKey is LATVDNIVFHFDJL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-3-7(8-9-5-6-13-8)10-14(11,12)4-2/h5-7,10H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide?
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide has a molecular weight of 234.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 124506403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).