3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C15H22N2O3S — CID 61138357

IUPAC3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CCOC2)C2CC2)cc1N
InChIInChI=1S/C15H22N2O3S/c1-11-2-5-14(8-15(11)16)21(18,19)17(13-3-4-13)9-12-6-7-20-10-12/h2,5,8,12-13H,3-4,6-7,9-10,16H2,1H3
InChIKeyDVRBCAKTXDDXBF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.77
Rot. Bonds5

About 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 61138357) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID61138357
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CCOC2)C2CC2)cc1N
InChIInChI=1S/C15H22N2O3S/c1-11-2-5-14(8-15(11)16)21(18,19)17(13-3-4-13)9-12-6-7-20-10-12/h2,5,8,12-13H,3-4,6-7,9-10,16H2,1H3
InChIKeyDVRBCAKTXDDXBF-UHFFFAOYSA-N
XLogP1.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697634
5-[cyclopropyl(oxolan-3-ylmethyl)sulfamoyl]-2-methoxybenzamide
CID 47031527
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 78872535
3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 71977813
N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 47814417
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915434
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54877023
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 61138357) is 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC2CCOC2)C2CC2)cc1N.
What is the InChIKey of 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is DVRBCAKTXDDXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-2-5-14(8-15(11)16)21(18,19)17(13-3-4-13)9-12-6-7-20-10-12/h2,5,8,12-13H,3-4,6-7,9-10,16H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61138357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).