N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide

C13H19NO3S2 — CID 78872535

IUPACN-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CCOC2)C2CC2)s1
InChIInChI=1S/C13H19NO3S2/c1-10-2-5-13(18-10)19(15,16)14(12-3-4-12)8-11-6-7-17-9-11/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyMPOJCONXVHGGPG-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.25
Rot. Bonds5

About N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide

N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 78872535) has the molecular formula C13H19NO3S2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID78872535
Molecular FormulaC13H19NO3S2
Molecular Weight301.43 g/mol
Exact Mass301.08
IUPAC NameN-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CCOC2)C2CC2)s1
InChIInChI=1S/C13H19NO3S2/c1-10-2-5-13(18-10)19(15,16)14(12-3-4-12)8-11-6-7-17-9-11/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyMPOJCONXVHGGPG-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 91915335
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581
3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61138357
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 90610868
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54877023
3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697634
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79702302
N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide
CID 79120828
N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697483
5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide (CID 78872535) is N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(CC2CCOC2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is MPOJCONXVHGGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S2/c1-10-2-5-13(18-10)19(15,16)14(12-3-4-12)8-11-6-7-17-9-11/h2,5,11-12H,3-4,6-9H2,1H3.
What are the key properties of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide?
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 301.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 78872535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).