N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide

C16H29N3O2S2 — CID 52506130

IUPACN-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C16H29N3O2S2/c1-5-18-10-6-7-15(18)13-19(12-11-17(3)4)23(20,21)16-9-8-14(2)22-16/h8-9,15H,5-7,10-13H2,1-4H3/t15-/m0/s1
InChIKeyOIPZVWXPABCLMD-HNNXBMFYSA-N
MW359.56 g/mol
LogP2.09
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide

N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 52506130) has the molecular formula C16H29N3O2S2 and a molecular weight of 359.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
PubChem CID52506130
Molecular FormulaC16H29N3O2S2
Molecular Weight359.56 g/mol
Exact Mass359.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C16H29N3O2S2/c1-5-18-10-6-7-15(18)13-19(12-11-17(3)4)23(20,21)16-9-8-14(2)22-16/h8-9,15H,5-7,10-13H2,1-4H3/t15-/m0/s1
InChIKeyOIPZVWXPABCLMD-HNNXBMFYSA-N
XLogP2.09
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 52506128
2-bromo-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620479
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620794
3-cyano-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 51132572
3-acetyl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620769
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]thiophene-2-carbaldehyde
CID 79313530
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073
N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
CID 63397238
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 79318720
(2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide
CID 124886555
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103720333

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide (CID 52506130) is N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide is CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is OIPZVWXPABCLMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H29N3O2S2/c1-5-18-10-6-7-15(18)13-19(12-11-17(3)4)23(20,21)16-9-8-14(2)22-16/h8-9,15H,5-7,10-13H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 359.56 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 52506130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).