N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide

C12H20N2O2S2 — CID 54971999

IUPACN-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H20N2O2S2/c1-2-14(9-12-6-4-8-17-12)18(15,16)10-11-5-3-7-13-11/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3
InChIKeyGMJBBHYMFUHSJN-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.65
Rot. Bonds6

About N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide

N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide (PubChem CID 54971999) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide
PubChem CID54971999
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H20N2O2S2/c1-2-14(9-12-6-4-8-17-12)18(15,16)10-11-5-3-7-13-11/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3
InChIKeyGMJBBHYMFUHSJN-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79377843
1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 61114484
N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide
CID 106936342
N-cyclopropyl-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715466
N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide
CID 54972047
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 106616083
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
(2R)-2-(2-thiophen-2-ylethoxymethyl)pyrrolidine
CID 102820127
N-(2-methoxyethyl)-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 61365241
N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 106626023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide (CID 54971999) is N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide is CCN(Cc1cccs1)S(=O)(=O)CC1CCCN1.
What is the InChIKey of N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The InChIKey is GMJBBHYMFUHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-2-14(9-12-6-4-8-17-12)18(15,16)10-11-5-3-7-13-11/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3.
What are the key properties of N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide?
N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 54971999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).