N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide

C16H25N3O4S2 — CID 9169589

IUPACN-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(C[C@@H]2CCCO2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H25N3O4S2/c1-17(25(21,22)16-5-3-11-24-16)13-15(20)19-8-6-18(7-9-19)12-14-4-2-10-23-14/h3,5,11,14H,2,4,6-10,12-13H2,1H3/t14-/m0/s1
InChIKeyBFJOXKXSOFAHNQ-AWEZNQCLSA-N
MW387.53 g/mol
LogP0.69
Rot. Bonds6

About N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 9169589) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID9169589
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC NameN-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(C[C@@H]2CCCO2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H25N3O4S2/c1-17(25(21,22)16-5-3-11-24-16)13-15(20)19-8-6-18(7-9-19)12-14-4-2-10-23-14/h3,5,11,14H,2,4,6-10,12-13H2,1H3/t14-/m0/s1
InChIKeyBFJOXKXSOFAHNQ-AWEZNQCLSA-N
XLogP0.69
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 9169589) is N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide is CN(CC(=O)N1CCN(C[C@@H]2CCCO2)CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is BFJOXKXSOFAHNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c1-17(25(21,22)16-5-3-11-24-16)13-15(20)19-8-6-18(7-9-19)12-14-4-2-10-23-14/h3,5,11,14H,2,4,6-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 387.53 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 9169589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).