2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide

C13H21NO3S — CID 136571371

IUPAC2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)CC(C)C1CC1
InChIInChI=1S/C13H21NO3S/c1-10(12-4-5-12)9-18(15,16)14(3)8-13-6-7-17-11(13)2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyCXHCBMUCSLFQQA-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.40
Rot. Bonds6

About 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide

2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide (PubChem CID 136571371) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide
PubChem CID136571371
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)CC(C)C1CC1
InChIInChI=1S/C13H21NO3S/c1-10(12-4-5-12)9-18(15,16)14(3)8-13-6-7-17-11(13)2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyCXHCBMUCSLFQQA-UHFFFAOYSA-N
XLogP2.40
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-2-sulfonamide
CID 61384057
2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide
CID 107651758
N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine
CID 54952619
3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61424218
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387654
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707768
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine
CID 79415031
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426284
5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387662

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide (CID 136571371) is 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide is Cc1occc1CN(C)S(=O)(=O)CC(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is CXHCBMUCSLFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(12-4-5-12)9-18(15,16)14(3)8-13-6-7-17-11(13)2/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide?
2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 136571371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).