N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide

C9H14N2O3S2 — CID 43598487

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide
SMILESCN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H14N2O3S2/c1-11(7-5-10-6-8(7)12)16(13,14)9-3-2-4-15-9/h2-4,7-8,10,12H,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyDBMLBKVDKJQZRM-HTQZYQBOSA-N
MW262.36 g/mol
LogP-0.30
Rot. Bonds3

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 43598487) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide
PubChem CID43598487
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide
SMILESCN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H14N2O3S2/c1-11(7-5-10-6-8(7)12)16(13,14)9-3-2-4-15-9/h2-4,7-8,10,12H,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyDBMLBKVDKJQZRM-HTQZYQBOSA-N
XLogP-0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71641141
N-methyl-N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71640930
3-chloro-2-fluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbenzenesulfonamide
CID 43598448
N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 63299353
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 63105109
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95395150
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 120944970
N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide
CID 167820513
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
N,N-dicyclohexylthiophene-2-sulfonamide
CID 19682432

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide (CID 43598487) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide is CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is DBMLBKVDKJQZRM-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-11(7-5-10-6-8(7)12)16(13,14)9-3-2-4-15-9/h2-4,7-8,10,12H,5-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 262.36 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 43598487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).