2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine

C16H29N3O2S2 — CID 110290425

IUPAC2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
SMILESCCc1ccc(S(=O)(=O)N2CC(C)N(CCN(C)C)C(C)C2)s1
InChIInChI=1S/C16H29N3O2S2/c1-6-15-7-8-16(22-15)23(20,21)18-11-13(2)19(14(3)12-18)10-9-17(4)5/h7-8,13-14H,6,9-12H2,1-5H3
InChIKeySDGMUODHMYKERO-UHFFFAOYSA-N
MW359.56 g/mol
LogP1.96
Rot. Bonds6

About 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine

2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 110290425) has the molecular formula C16H29N3O2S2 and a molecular weight of 359.56 g/mol. Its IUPAC name is 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
PubChem CID110290425
Molecular FormulaC16H29N3O2S2
Molecular Weight359.56 g/mol
Exact Mass359.17
IUPAC Name2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
SMILESCCc1ccc(S(=O)(=O)N2CC(C)N(CCN(C)C)C(C)C2)s1
InChIInChI=1S/C16H29N3O2S2/c1-6-15-7-8-16(22-15)23(20,21)18-11-13(2)19(14(3)12-18)10-9-17(4)5/h7-8,13-14H,6,9-12H2,1-5H3
InChIKeySDGMUODHMYKERO-UHFFFAOYSA-N
XLogP1.96
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine
CID 63910226
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369136
[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 79187616
(3S,4R)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090321
2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
CID 110290412
(3S,4S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135091674
6-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 110290439
2-(5-ethylthiophen-2-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120583874

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine (CID 110290425) is 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine is CCc1ccc(S(=O)(=O)N2CC(C)N(CCN(C)C)C(C)C2)s1.
What is the InChIKey of 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is SDGMUODHMYKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S2/c1-6-15-7-8-16(22-15)23(20,21)18-11-13(2)19(14(3)12-18)10-9-17(4)5/h7-8,13-14H,6,9-12H2,1-5H3.
What are the key properties of 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 359.56 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 110290425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).